Spektraris NMR
caffeic acid
Common Name: caffeic acid
Synonyms: caffeic acid
CAS Registry Number:
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey: InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-N
Formula: C9H8O4
Molecular Weight: 180.157769
Exact Mass: 180.042259
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36
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) | 126.9 |
| 2 (CH) | 121.9 |
| 3 (CH) | 115.6 |
| 4 (C) | 148.1 |
| 5 (C) | 145.7 |
| 6 (CH) | 114.3 |
| 7 (CH) | 145.4 |
| 8 (CH) | 115 |
| 9 (C) | 167.9 |
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