Common Name: ¡cido 2,5-di-hidroxibenzÛico
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey: InChIKey=WXTMDXOMEHJXQO-UHFFFAOYSA-N
Formula: C7H6O4
Molecular Weight: 154.120416
Exact Mass: 154.026609
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pinheiro, L., Cortez, D.A.G. Quim Nova (2003) 26, 157-60
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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) | 123.2 |
2 (C) | 145.7 |
3 (CH) | 115.8 |
4 (CH) | 123.6 |
5 (C) | 150.9 |
6 (CH) | 117.5 |
7 (C) | 167.8 |