Dear Chegg, I have following NMR-, Mass- and UV-VIS spectras and I want help wit

Question

Dear Chegg, I have following NMR-, Mass- and UV-VIS spectras and I want help with identifying the molecular structure/formula for my unknown compound by using those spectras as shown down below (all those spectras are only for one compound and it's unknown.. So it's basically one question and hope someone can help me with identifying it):

**(MORE Information added)**

the 1H-NMR spectra:

the 13C-NMR spectra (the solvent is DMSO and the chemical shift for the solvent is around 39.5-40ppm. I've tried my best to phase correction it, but this is the best I have and hope it's enough to identify the unknown compound):

the Mass Spectra (For the unknown compound, they have used MALDI method, and it's a High-resolution-MS):

and at the end I have also this UV-VIS spectra for the unknown compound (the compound didn't dissolve in cyclohexane, but instead in Ethanol, which makes it a polar compound):

Explanation / Answer

The information you have is quite incomplete to fully determine the compound.

I can help you with what I see...

From the IR spectrum we can see the compund has no N-H, no O-H bonds and no carbonyl groups so we can discard animes (except for quaternary ammonium salts), amides, alcohols, ketones, aldeydes, carboxylic acids, aminoacids and sugars. There re some overtones (or noise) in the 2000-2500 cm-1 region that could indicate aromatic compound. The fingerprint region is consistent with aromatics.

From NMR: Both H and C NMR are consistent with aromatics: HNMR chemical shift in the 7-8 is consistent with aromatic proton (like the hydrogen atoms of benzene). The C NMR chemical shift can be an aromatic or heteroaromatic carbon.

From MS: The spectrum lacks of the fragmentation pattern so only the molecular weight and perhaps isotopic contribution can be found. From the isotopic contrbution we can say the compound does not contain sulphur, bromine or chlorine.

From UV: Not much information UV gives about structure, it can however be an aromatic compound.

With all that information: The compound is probably a high molecular weight hydrocarbon with probably no heteroatoms and perhaps up to five benezene rings fused or something like that.

I hope you find this information useful.

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