3,4-DIHYDROXYBENZOIC ACID

3,4-DIHYDROXYBENZOIC ACID

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)

Carbon NMR Peaks

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