Spektraris NMR
4H-1-Benzopyran-4-one, 2-(2-hydroxyphenyl)-3-methoxy-
Common Name: 4H-1-Benzopyran-4-one, 2-(2-hydroxyphenyl)-3-methoxy-
Synonyms: 4H-1-Benzopyran-4-one, 2-(2-hydroxyphenyl)-3-methoxy-
CAS Registry Number:
InChI: InChI=1S/C16H12O4/c1-19-16-14(18)11-7-3-5-9-13(11)20-15(16)10-6-2-4-8-12(10)17/h2-9,17H,1H3
InChIKey: InChIKey=GMVNPWNYMHIQDC-UHFFFAOYSA-N
Formula: C16H12O4
Molecular Weight: 268.264683
Exact Mass: 268.073559
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Iinuma, M., Matoba, Y., Tanaka, T., Mizuno, M. Chem Pharm Bull (1986) 34, 1656-62
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 155.6 |
| 3 (C) | 141.9 |
| 4 (C) | 174.8 |
| 5 (CH) | 126.8 |
| 6 (CH) | 124.5 |
| 7 (CH) | 133.1 |
| 8 (CH) | 118 |
| 9 (C) | 155.6 |
| 10 (C) | 124.5 |
| 1' (C) | 118 |
| 2' (C) | 156.4 |
| 3' (CH) | 113.1 |
| 4' (CH) | 131.8 |
| 5' (CH) | 120.6 |
| 6' (CH) | 130.9 |
| 3a (CH3) | 60.3 |
