Spektraris NMR
(2E)-3-trans-Cinnamoyl-2-methoxyacrylic acid methyl ester
Common Name: (2E)-3-trans-Cinnamoyl-2-methoxyacrylic acid methyl ester
Synonyms: (2E)-3-trans-Cinnamoyl-2-methoxyacrylic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C14H14O4/c1-17-13(14(16)18-2)10-12(15)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+,13-10+
InChIKey: InChIKey=ZTNWJRLQUZKEDS-PEGOPYGQSA-N
Formula: C14H14O4
Molecular Weight: 246.259093
Exact Mass: 246.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamperdick C., Hong Van N., Van Sung T. Phytochemistry (2002) 61, 991-4
Species:
Notes: Family : Pyranes, Type : Pyrones; 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) | 164.3 |
| 2 (C) | 161.5 |
| 3 (CH) | 100.9 |
| 4 (C) | 187.1 |
| 5 (CH) | 126.6 |
| 6 (CH) | 142.9 |
| 1' (C) | 134.4 |
| 2' (CH) | 128.2 |
| 3' (CH) | 128.8 |
| 4' (CH) | 130.4 |
| 5' (CH) | 128.8 |
| 6' (CH) | 128.2 |
| 1a (CH3) | 53 |
| 2a (CH3) | 57.1 |
