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)
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 |