4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-5-methoxy-

4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-5-methoxy-

Common Name: 4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-5-methoxy-

Synonyms: 4H-1-Benzopyran-4-one, 2-(3-amino-4-methylphenyl)-5-methoxy-

CAS Registry Number:

InChI: InChI=1S/C17H15NO3/c1-10-6-7-11(8-12(10)18)16-9-13(19)17-14(20-2)4-3-5-15(17)21-16/h3-9H,18H2,1-2H3

InChIKey: InChIKey=YHROEINXQFJYPE-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) 161.5
3 (CH) 108.5
4 (C) 178.5
5 (C) 159.7
6 (CH) 106.3
7 (CH) 133.5
8 (CH) 110.2
9 (C) 158.3
10 (C) 114.6
1' (C) 130.1
2' (CH) 111.9
3' (C) 145
4' (C) 126.1
5' (CH) 131
6' (CH) 116.4
5a (CH3) 17.7
4'a (CH3) 56.5