Spektraris NMR
3,4-Dimethoxybenzoic acid
Common Name: 3,4-Dimethoxybenzoic acid
Synonyms: 3,4-Dimethoxybenzoic acid
CAS Registry Number:
InChI: InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey: InChIKey=DAUAQNGYDSHRET-UHFFFAOYSA-N
Formula: C9H10O4
Molecular Weight: 182.17365
Exact Mass: 182.057909
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Bilia, A.R.,Yusuf, A.W.,Braca, A.,Keita, A.,Morelli, I. J Nat Prod (2000) 63, 16-21
Species:
Notes: Family : Aromatics, Type : Benzenes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 123.29 |
| 2 (CH) | 111.98 |
| 3 (C) | 148.22 |
| 4 (C) | 152.5 |
| 5 (CH) | 110.47 |
| 6 (CH) | 123.18 |
| 7 (C) | 167.31 |
| 3a (CH3) | 55.6 |
| 4a (CH3) | 55.5 |
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