3-METHOXYBENZOIC ACID

3-METHOXYBENZOIC ACID

Common Name: 3-METHOXYBENZOIC ACID

Synonyms: 3-METHOXYBENZOIC ACID

CAS Registry Number:

InChI: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey: InChIKey=XHQZJYCNDZAGLW-UHFFFAOYSA-N

Formula: C8H8O3

Molecular Weight: 152.147628

Exact Mass: 152.047344

NMR Solvent: CDCl3

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) 133
2 (CH) 115.6
3 (C) 160.8
4 (CH) 120.2
5 (CH) 131
6 (CH) 123.1
7 (C) 168.7
3a (CH3) 56.6