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Chemistry Forums for Students => Undergraduate General Chemistry Forum => Topic started by: sploogmcduck on March 04, 2019, 02:06:36 AM

Title: Organic Spectra Analysis of Unknown
Post by: sploogmcduck 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 (https://imgur.com/wL8gHpt)

H NMR (https://imgur.com/4tLZLSE) and Aromatics (https://imgur.com/a/J2BYlMc)

Cosy (https://imgur.com/Ajb9gRn)

C NMR (https://imgur.com/a/H3mqbAb)

HSQC (https://imgur.com/a/nTaxfor)

Dept90 (https://imgur.com/a/oNM1oI2)

HMBC (https://imgur.com/a/JRiInpq)
Title: Re: Organic Spectra Analysis of Unknown
Post by: wildfyr 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?
Title: Re: Organic Spectra Analysis of Unknown
Post by: sploogmcduck 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 (https://imgur.com/a/cNqTmq8)
Title: Re: Organic Spectra Analysis of Unknown
Post by: wildfyr 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.
Title: Re: Organic Spectra Analysis of Unknown
Post by: sploogmcduck on March 04, 2019, 07:39:52 PM
Solved naphthalene-1,5-diol