Common Name: 3,4-DIHYDROXYBENZOIC ACID
Synonyms: 3,4-DIHYDROXYBENZOIC ACID
CAS Registry Number:
InChI: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChIKey: InChIKey=YQUVCSBJEUQKSH-UHFFFAOYSA-N
Formula: C7H6O4
Molecular Weight: 154.120416
Exact Mass: 154.026609
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, H.L., Nagatsu, A., Okuyama, H., Mizukami, H., Sakakibara, J. Phytochemistry (1998) 48, 665-8
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) | 121.6 |
2 (CH) | 116.5 |
3 (C) | 144.8 |
4 (C) | 150 |
5 (CH) | 115.1 |
6 (CH) | 121.9 |
7 (C) | 167.2 |