Please provide the 13C and HSQC Spectra values of Benzoic Acid, 3-bromo-, methyl ester. And discuss how the results were obtain.

For example 13 C for 3-(3-methoxyphenyl) propanoic acid will be written like this :

13C NMR: δ (ppm, in CDCl3, at 60 MHz): 179.54(#10), 160(#4), 141.89(#7), 130.16(#2), 120.67(#3), 114.62 (#1), 111.78 (#6), 55.07 (#5),35.47(#9), 30.55(#8).

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aoub834Lv3

17 Jan 2023

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Related questions

Please provide the IR, 1H NMR and UV Spectra values of Benzoic Acid, 3-bromo-, methyl ester. And discuss how the results were obtain.

For example the result for 3-(3-methoxyphenyl) propanoic acid would be written like this:

¹ H NMR spectrumd (ppm in CDCI₃ at 60 MHZ: 11.75 (Singlet, 1H, #7), 7.40-7.23 (Multiplet, 1H, #2), 6.85 (quartet, 3H, #1-3-6), 3.86 (Singlet, 3H, #5), 3.15-2.53 (Multiplet, 4H, #9-8).

The discussion would be like this:

the unknown molecule contained 12H. Revealing the presence of a peak of medium intensity at 11.75 ppm that we can associate with a carbocyclic acid. It also showed a high intensity peak at 3.86 ppm that we can associate with an ether, an alcohol or an amino group. Since the signal also shows that 3 protons are attached to it, it is therefore considered an ether (OCH3) in the unknown molecule. We also see two average peaks around 7.23 ppm and 6.85 ppm which show the presence of an aromatic.

salmonmole205

Please provide the MS and Dept 45,90, 135 Spectra values of Benzoic Acid, 3-bromo-, methyl ester. Also discuss on how the results were obtained.

For Ex: MS for 3-(3-methoxyphenyl) propanoic acid, will be written like this.

MS: M/z (EI), 182 (M+2), 180 (M+), 165 (M+ -CH3), 149 (M+ - CH3-O), 135 (M+ COOH), 121 (M+- COOH-CH2), 107 (M+- COOH-CH2-CH2), 91 (M+ - COOH-CH2-CH3-O), 77(M+- COOH-CH-Ch2-Ch3-O Aromatic).

For ex the Discussion would be like this:

The molecular ion (M+) peak is at 180 m/z meaning that the molecule weight of the unknown molecule is around 180 g/ml. The spectrum has also confirmed a M+2 Peak at 182 m/z which represent the isotopes. The base peak is located at peak 135 m/z representing the loss of m-45 which is a loss of carboxylic acid meaning that this fragment is the most important one. The low peak at 165 m/z confirms the loss of the CH3 group. The peak 149 m/z which is low intensity shows the loss of ether group (OCH3, M-31). Both peaks, 121 and 107 m/z show the loss of the two CH2 groups.

salmonmole205