Common Name: Methyl 4-hydroxybenzoate
Synonyms: Methyl 4-hydroxybenzoate
CAS Registry Number:
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey: InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA-N
Formula: C8H8O3
Molecular Weight: 152.147628
Exact Mass: 152.047344
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) | 122.3 |
2 (CH) | 132 |
3 (CH) | 115.3 |
4 (C) | 160.4 |
5 (CH) | 115.3 |
6 (CH) | 132 |
7 (C) | 167.5 |
7a (CH3) | 52.1 |