Common Name: Gallic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey: InChIKey=LNTHITQWFMADLM-UHFFFAOYSA-N
Formula: C7H6O5
Molecular Weight: 170.11982
Exact Mass: 170.021523
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Du, Z.Z., He, H.P., Wu, B., Shen, Y.M., Hao, X.J. Helv Chim Acta (2004) 87, 758-63
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) | 123 |
2 (CH) | 110.7 |
3 (C) | 147.8 |
4 (C) | 140.7 |
5 (C) | 147.8 |
6 (CH) | 110.7 |
7 (C) | 169.9 |