Spektraris NMR
4',7-Dimethoxyisoflavone
Common Name: 4',7-Dimethoxyisoflavone
Synonyms: 4',7-Dimethoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
InChIKey: InChIKey=LPNBCGIVZXHHHO-UHFFFAOYSA-N
Formula: C17H14O4
Molecular Weight: 282.291301
Exact Mass: 282.089209
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) | 151.8 |
| 3 (C) | 124.7 |
| 4 (C) | 175.5 |
| 5 (CH) | 127.6 |
| 6 (CH) | 114.3 |
| 7 (C) | 163.7 |
| 8 (CH) | 99.9 |
| 9 (C) | 157.7 |
| 10 (C) | 118.3 |
| 1' (C) | 124.1 |
| 2' (CH) | 129.9 |
| 3' (CH) | 113.8 |
| 4' (C) | 159.4 |
| 5' (CH) | 113.8 |
| 6' (CH) | 129.9 |
| 7a (CH3) | 55.2 |
| 4'a (CH3) | 55.7 |
