May 26, 2019, 09:33:57 AM
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Topic: Organic Spectra Analysis of Unknown  (Read 537 times)

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Offline sploogmcduck

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Organic Spectra Analysis of Unknown
« on: March 04, 2019, 02:06:36 AM »
I'm used to going from a known compound and assigning values to H NMR and C NMR but have never done an identification of an unknown through similar methods.



I have the IR, GC-Mass Spec (~160 m/z), H NMR, C NMR, Cosy, HMBC and HSQC and seem to be stuck on how to go about the identification. Any help is appreciated.



IR

H NMR and Aromatics

Cosy

C NMR

HSQC

Dept90

HMBC

Offline wildfyr

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Re: Organic Spectra Analysis of Unknown
« Reply #1 on: March 04, 2019, 11:13:13 AM »
I'll have a more thorough look. Later, but for the HNMR why aren't all the peaks integrated?

Offline sploogmcduck

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Re: Organic Spectra Analysis of Unknown
« Reply #2 on: March 04, 2019, 02:33:31 PM »
I get really weird integrations when I integrate that peak to 1. Here it is with it. The other 2 upfield peaks are DMSO (2.5 ppm) and TMS (0 ppm)

H NMR with most upfield peak as integration calibration

Offline wildfyr

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Re: Organic Spectra Analysis of Unknown
« Reply #3 on: March 04, 2019, 03:46:12 PM »
Ah, you didnt mention this was in DMSO. Typically 2.5 and 3.33 are DMSO and water when DMSO is used as the NMR solvent.

Offline sploogmcduck

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Re: Organic Spectra Analysis of Unknown
« Reply #4 on: March 04, 2019, 07:39:52 PM »
Solved naphthalene-1,5-diol

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