Spektraris NMR
3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate
Common Name: 3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate
Synonyms: 3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate
CAS Registry Number:
InChI: InChI=1S/C18H14O5/c1-11(19)23-14-7-8-15-17(9-14)22-10-16(18(15)20)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3
InChIKey: InChIKey=GGGJVAAAUYBGSQ-UHFFFAOYSA-N
Formula: C18H14O5
Molecular Weight: 310.301441
Exact Mass: 310.084124
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 : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 152.4 |
| 3 (C) | 125.1 |
| 4 (C) | 175.6 |
| 5 (CH) | 127.7 |
| 6 (CH) | 119.3 |
| 7 (C) | 154.2 |
| 8 (CH) | 110.8 |
| 9 (C) | 156.5 |
| 10 (C) | 122.2 |
| 1' (C) | 123.7 |
| 2' (CH) | 130 |
| 3' (CH) | 113.9 |
| 4' (C) | 159.6 |
| 5' (CH) | 113.9 |
| 6' (CH) | 130 |
| 7a (C) | 168.3 |
| 7b (CH3) | 21.1 |
| 4'a (CH3) | 55.3 |
