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)
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 |