Common Name: Salicylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey: InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N
Formula: C7H6O3
Molecular Weight: 138.121011
Exact Mass: 138.031694
NMR Solvent: CDCl3
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) | 114.4 |
2 (C) | 162.9 |
3 (CH) | 118.4 |
4 (CH) | 136.7 |
5 (CH) | 120.3 |
6 (CH) | 131.7 |
7 (C) | 173.6 |