Spektraris NMR
n-caffeoyltyramine
Common Name: n-caffeoyltyramine
Synonyms: n-caffeoyltyramine
CAS Registry Number:
InChI: InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
InChIKey: InChIKey=VSHUQLRHTJOKTA-XBXARRHUSA-N
Formula: C17H17N1O4
Molecular Weight: 299.321866
Exact Mass: 299.115758
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lajide, L., Escoubas, P., Mizutani, J. Phytochemistry (1995) 40, 1105-12
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) | 131.6 |
| 2 (CH) | 114.2 |
| 3 (C) | 146.2 |
| 4 (C) | 147.9 |
| 5 (CH) | 114.8 |
| 6 (CH) | 130.9 |
| 7 (CH) | 140.9 |
| 8 (CH) | 121.6 |
| 9 (C) | 166.5 |
| 1' (C) | 130.6 |
| 2' (CH) | 130.7 |
| 3' (CH) | 116.4 |
| 4' (C) | 156.6 |
| 5' (CH) | 116.4 |
| 6' (CH) | 130.7 |
| 7' (CH2) | 41.9 |
| 8' (CH2) | 35.6 |
