Compound ID Post lab

grp9aa l13Acquisition and
Processing Parameters
2023-02-14
348.13
10 PPM
218.15
5 PPM
50.14
0 PPM
Acquisition Time:
2023/02/14 15:51:33+0700
Nucleus: H
Solvent: Acetone-d6
TX Frequency: 60.10 MHz
Scans: 16
Time Per Scan: 6.1 sec
Spectral Width: 12 ppm
Dwell Time: 0.34 uS
Digital Resolution: 0.03 Hz
NPoints (Complex): 4096
Zero Filling: 7
Apodization: 0.10
Receiver Gain: 27
Pulse Width: 15.0 us
Peaks:
1: 0 Hz (0.01 ppm)
2: 138 Hz (2.31 ppm)
3: 431 Hz (7.18 ppm)
4: 440 Hz (7.32 ppm)
5: 442 Hz (7.37 ppm)
6: 445 Hz (7.41 ppm)
grp4aa s1
Acquisition and
Processing Parameters
2023-02-14
137.83
90.96
91.61
176.34
10 PPM
29.74
5 PPM
0 PPM
Acquisition Time:
2023/02/14 15:46:52+0700
Nucleus: H
Solvent: Acetone-d6
TX Frequency: 60.10 MHz
Scans: 16
Time Per Scan: 6.1 sec
Spectral Width: 12 ppm
Dwell Time: 0.34 uS
Digital Resolution: 0.03 Hz
NPoints (Complex): 4096
Zero Filling: 7
Apodization: 0.10
Receiver Gain: 27
Pulse Width: 15.0 us
Peaks:
1: -1 Hz (-0.03 ppm)
2: 412 Hz (6.87 ppm)
3: 416 Hz (6.92 ppm)
4: 420 Hz (6.99 ppm)
5: 427 Hz (7.12 ppm)
6: 442 Hz (7.36 ppm)
7: 450 Hz (7.49 ppm)
8: 456 Hz (7.60 ppm)
9: 458 Hz (7.63 ppm)
10: 460 Hz (7.67 ppm)
11: 469 Hz (7.80 ppm)
12: 476 Hz (7.93 ppm)
13: 672 Hz (11.20 ppm)
General Lab Report Guidelines
Winter 2023
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Each student must write their own report. It should be in your own words.
I recognize that the experimental section may sound very much like your
partner’s experimental.
It is normal (but not necessary) for you and your partner to come to the same
conclusions about compound ID, and describe the same pathway for getting
there, but the exact words should be your own.
A typed copy of your lab report must be submitted on paper. This is the one that
will be graded.
It is great to draw structures by hand. You are also welcome to annotate your
spectra by hand. Just use your best printing and don’t write too small.
Please also upload a copy of your lab report as a back up.
Annotating Spectra.
o Attach all spectra (ones you collected and provided ones) in an appendix.
o Annotate NMR Spectra with
▪ compound code
▪ your name & partner’s name
▪ structure of the proposed compound with protons (H-NMR) or C (CNMR) labelled.
▪ Label signals with the corresponding code for the H or C
o Annotate Mass Spec with
▪ compound code
▪ your name & partner’s name
▪ structure of the proposed compound
▪ the M peak (and M+2 peak if present and important)
o Annotate IR with
▪ compound code
▪ your name & partner’s name
▪ structure of the proposed compound
▪ distinguishing peaks marked (ie hydroxyl, carbonyl, alkyl, alkenyl,
aromatic, amine, etc.)
Experimental
o Past tense, passive voice
o Describe what was done (no or minimal interpretation)
Results and Discussion
o Describe the reasoning that led to identification of compound. Do Liquid
and Solid separately.
o Present data (tabulated from the actual spectra in the appendix) and
discuss what information is gained from it.
o Describe how the various data led to your conclusion.
o If the data is inconsistent in any way, describe how and why.
R& D has a concluding paragraph AND you write a separate conclusion.
General Lab Report Rubric
Winter 2023
Section
Abstract
% of
points
90-100
80-90
70-80
< 70 Introduction 90-100 80-90 70-80 < 70 Experimental 90-100 Methods 80-90 70-80 < 70 Description of Criteria A strong abstract concisely describes the reason for the work, what problem or question was addressed and what the hypothesis was, what methodology was used, gives the major result, and the implications. It contains less than 400 words. A good abstract meets most but not all of the criteria above. A basic abstract is missing several of the above points, or is wordy or disconnected. .An abstract needing major revision fails to meet many of the above criteria. An outstanding introduction provides some context and background for the research described in the report. If a compound is being synthesized, its structure, properties, and uses are given, and the reaction pathway is shown. If a reaction mechanism is being determined, the overall reaction is given, and the desirability of knowing the mechanism is explained. If a compound is being identified, its source and the need for determining its identity is explained. If a compound is being isolated, the reason for isolating it is discussed. The objective of the work, along with the scientist’s hypothesis, is stated and related to the background in the first paragraph. The planned method for acquiring data to answer the hypothesis question is briefly outlined. Finally, the introduction covers the outcome; whether the data uphold, disprove, or fail to answer the question asked or achieve the objective being researched. The larger implications and future directions for this work (if any) are discussed. This information is organized into 3-4 paragraphs. Connections between the different parts is clear and logical. A good introduction tries to cover all of the above, but misses one or two of the items, or is choppy and illogical in a few places. A basic introduction misses several of the criteria, or is disconnected or illogical in many spots. This introduction is in need of major revision, does not include many of the criteria, or is disconnected and illogical throughout. A strong Experimental Section gives a concise step-by-step description of your actual procedure. The experimental section provides the information necessary for someone to successfully repeat your experiments. It is always written in the passive voice and past tense. You are writing for another chemist, thus common procedures, techniques, and equipment (recrystallization, filtration, distillation, etc.) do not need to be described in detail. A good experimental describes most of the experimental work with sufficient but not excessive detail, but misses some information or provides far too much in some cases. Past tense and passive voice is used throughout. A basic experimental section may struggle throughout with too little/ too much detail, unclear or incorrect descriptions, or with the past tense or passive voice. An Experimental section in need of major revision. Awarded Points Results and Discussion 90-100 80-90 70-80 Conclusion < 70 90-100 80 or < References/ Citations Attachments A strong Results and Discussion section presents the results obtained (figures, graphs, and tables can be helpful) and explains what you, the scientist, believe they mean. The answer they provide, or fail to provide, to your research question/ hypothesis is clearly explained. Logical, clearly explained inferences should lead to well-supported conclusions. A good R & D section presents the results, but may omit or misinterpret one result, or draw a conclusion that is invalid in some minor way. A basic R & D section presents all the data and attempts to interpret it. The meaning and conclusions are generally valid but have some questionable interpretations, or the explanations may be somewhat hard to follow and understand. Data is missing and/ or interpretation of data is pretty far off-base. A strong conclusion briefly recaps the reasoning developed in the R & D section supporting or refuting the hypothesis, or concluding that the data is inconclusive. Conclusion does not meet criteria above. Has citations All spectra discussed in the R & D section are attached. Unknown L13 W23 13C-NMR Mass Spec Unknown S1 W23 13C-NMR Mass Spec Enlarged molecular ion area