Lucirose Posted August 15, 2016 Posted August 15, 2016 Hi I am Currently working on an structure elucidation, for the compound C7H12O4. From the current information I have I have deduced that it has 2 C=O bonds and at least one OH group. Typically I would use the H-NMR to assist with the structure but, I am confused as there are only two singlets. one occur at 2.6ppm and another at 1.3ppm. with integrals 1.5 and 2 respectively. Any help with this structure would be appreciated.
Elite Engineer Posted August 15, 2016 Posted August 15, 2016 don't hesitate to add an ester group in there..everyone forgets those damn esters. 1
studiot Posted August 15, 2016 Posted August 15, 2016 don't hesitate to add an ester group in there..everyone forgets those damn esters. +1
hypervalent_iodine Posted August 17, 2016 Posted August 17, 2016 I would hesitate to say an ester with 7 carbons and only two 1H singlet peaks. That being said, that spectra seems wildly unlikely / impossible for any other structure I can think of. OP, can you please provide more information. Perhaps a picture of all the data you have? How do you know there's an OH? What are the integration ratios in your NMR? Edit: just noticed you included integration. This doesn't match with your molecular formula, which tells me something isn't right. Please post copies of your spectra for us to view and we can better help you.
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