Spektraris NMR
Coutaric acid
Common Name: Coutaric acid
Synonyms: Coutaric acid
CAS Registry Number:
InChI: InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+
InChIKey: InChIKey=INYJZRKTYXTZHP-ZZXKWVIFSA-N
Formula: C13H12O8
Molecular Weight: 296.230095
Exact Mass: 296.053217
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Bergman, M., Varshavsky, L., Gottlieb, H.E., Grossman, S. Phytochemistry (2001) 58, 143-52
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)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 127.19 |
| 2 (CH) | 131.38 |
| 3 (CH) | 116.93 |
| 4 (C) | 161.53 |
| 5 (CH) | 116.93 |
| 6 (CH) | 131.38 |
| 7 (CH) | 147.74 |
| 8 (CH) | 114.39 |
| 9 (C) | 168.13 |
| 1' (C) | 170.34 |
| 2' (CH) | 75.5 |
| 3' (CH) | 72.04 |
| 4' (C) | 173.53 |
