2-hydroxy-6-(2-hydroxypropyl)benzoic acid

2-hydroxy-6-(2-hydroxypropyl)benzoic acid

Common Name: 2-hydroxy-6-(2-hydroxypropyl)benzoic acid

Synonyms: 2-hydroxy-6-(2-hydroxypropyl)benzoic acid

CAS Registry Number:

InChI: InChI=1S/C10H12O4/c1-6(11)5-7-3-2-4-8(12)9(7)10(13)14/h2-4,6,11-12H,5H2,1H3,(H,13,14)

InChIKey: InChIKey=OPRRKXOAGMZJPR-UHFFFAOYSA-N

Formula: C10H12O4

Molecular Weight: 196.200268

Exact Mass: 196.073559

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rahman, M.M., Sarker, S.D., Byres, M., Gray, A.I. J Nat Prod (2004) 67, 402-6

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) 139.6
2 (C) 108
3 (C) 162.5
4 (CH) 116.5
5 (CH) 136.3
6 (CH) 118.1
7 (CH2) 34.9
8 (CH) 76.3
9 (CH3) 21
2a (C) 170.2