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

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

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

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

CAS Registry Number:

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

InChIKey: InChIKey=OWSOSHAEPVXMDE-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) 166.5
3 (CH) 111
4 (C) 176.5
5 (CH) 124.6
6 (CH) 125.1
7 (CH) 133.8
8 (CH) 118.1
9 (C) 155.8
10 (C) 123.1
1' (C) 132.9
2' (C) 119
3' (C) 147.1
4' (CH) 116.2
5' (CH) 126
6' (CH) 117
2'a (CH3) 13.9