Spektraris NMR
4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-7-methoxy-
Common Name: 4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-7-methoxy-
Synonyms: 4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-7-methoxy-
CAS Registry Number:
InChI: InChI=1S/C17H15NO3/c1-10-3-4-11(7-14(10)18)16-9-15(19)13-6-5-12(20-2)8-17(13)21-16/h3-9H,18H2,1-2H3
InChIKey: InChIKey=VVWYJLCSUCVKAI-UHFFFAOYSA-N
Formula: C17H15N1O3
Molecular Weight: 281.306579
Exact Mass: 281.105193
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barros, A.I., Silva, A.M. Magn Reson Chem (2006) 44, 1122-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 163.4 |
| 3 (CH) | 106.6 |
| 4 (C) | 177.8 |
| 5 (CH) | 126.7 |
| 6 (CH) | 114.1 |
| 7 (C) | 163.9 |
| 8 (CH) | 100.2 |
| 9 (C) | 157.8 |
| 10 (C) | 117.7 |
| 1' (C) | 130.3 |
| 2' (CH) | 111.8 |
| 3' (C) | 126.1 |
| 4' (C) | 145.1 |
| 5' (CH) | 130.8 |
| 6' (CH) | 116.2 |
| 7a (CH3) | 17.4 |
| 4'a (CH3) | 55.7 |
