Spektraris NMR
Methyl caffeate
Common Name: Methyl caffeate
Synonyms: Methyl caffeate
CAS Registry Number:
InChI: InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
InChIKey: InChIKey=OCNYGKNIVPVPPX-HWKANZROSA-N
Formula: C10H10O4
Molecular Weight: 194.184386
Exact Mass: 194.057909
NMR Solvent: DMSO-d6
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) | 127.4 |
| 2 (CH) | 122.3 |
| 3 (CH) | 116.2 |
| 4 (C) | 148.9 |
| 5 (C) | 146.3 |
| 6 (CH) | 114.9 |
| 7 (CH) | 145.9 |
| 8 (CH) | 115.1 |
| 9 (C) | 168 |
| 9a (CH3) | 51.6 |
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