3-HYDROXY-4-METHOXYBENZOIC ACID

3-HYDROXY-4-METHOXYBENZOIC ACID

Common Name: 3-HYDROXY-4-METHOXYBENZOIC ACID

Synonyms: 3-HYDROXY-4-METHOXYBENZOIC ACID

CAS Registry Number:

InChI: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)

InChIKey: InChIKey=LBKFGYZQBSGRHY-UHFFFAOYSA-N

Formula: C8H8O4

Molecular Weight: 168.147033

Exact Mass: 168.042259

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) 123.33
2 (CH) 116.29
3 (C) 146.02
4 (C) 151.46
5 (CH) 110.78
6 (CH) 121.79
7 (C) 167.48
4a (CH3) 55.57