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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C16H13NO2/c1-10-6-7-11(8-13(10)17)16-9-14(18)12-4-2-3-5-15(12)19-16/h2-9H,17H2,1H3

InChIKey: InChIKey=GTRUQVIPYBPBGN-UHFFFAOYSA-N

Formula: C16H13N1O2

Molecular Weight: 251.280557

Exact Mass: 251.094629

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) 163.2
3 (CH) 106.3
4 (C) 177.8
5 (CH) 124.9
6 (CH) 124.3
7 (CH) 132.9
8 (CH) 117.3
9 (C) 155.5
10 (C) 123.3
1' (C) 129.1
2' (CH) 111.3
3' (C) 125.5
4' (C) 144.4
5' (CH) 130.3
6' (CH) 115.9
4'a (CH3) 16.8