Spektraris NMR
7-methoxy-3-phenylcoumarin
Common Name: 7-methoxy-3-phenylcoumarin
Synonyms: 7-methoxy-3-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C16H12O3/c1-18-13-8-7-12-9-14(11-5-3-2-4-6-11)16(17)19-15(12)10-13/h2-10H,1H3
InChIKey: InChIKey=WBYGYFJKFKFGLR-UHFFFAOYSA-N
Formula: C16H12O3
Molecular Weight: 252.265278
Exact Mass: 252.078644
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pelter, A., Ward, R.S., Gray, T.I. J Chem Soc, Perkin Trans 1 (1976) 0, 2475-83
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 3-Phenylcoumarins; 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 |
|---|---|
| 2 (C) | 160.5 |
| 3 (C) | 124.7 |
| 4 (CH) | 139.8 |
| 5 (CH) | 28.7 |
| 6 (CH) | 112.6 |
| 7 (C) | 162.5 |
| 8 (CH) | 100.3 |
| 9 (C) | 155.2 |
| 10 (C) | 113.2 |
| 1' (C) | 134.9 |
| 2' (CH) | 128.3 |
| 3' (CH) | 128.3 |
| 4' (CH) | 128.3 |
| 5' (CH) | 128.3 |
| 6' (CH) | 128.3 |
| 7a (CH3) | 55.7 |
