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)
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 |