Spektraris NMR
2-(4-methoxyphenyl)-5,7-dimethylchroman-4-one
Common Name: 2-(4-methoxyphenyl)-5,7-dimethylchroman-4-one
Synonyms: 2-(4-methoxyphenyl)-5,7-dimethylchroman-4-one
CAS Registry Number:
InChI: InChI=1S/C18H18O3/c1-11-8-12(2)18-15(19)10-16(21-17(18)9-11)13-4-6-14(20-3)7-5-13/h4-9,16H,10H2,1-3H3
InChIKey: InChIKey=FZRWWNNRFCIOSI-UHFFFAOYSA-N
Formula: C18H18O3
Molecular Weight: 282.334394
Exact Mass: 282.125594
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - K.R. Markham, B. Ternai Tetrahedron (1976) 32, 2607
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 77.5 |
| 3 (CH2) | 44.8 |
| 4 (C) | 192 |
| 5 (C) | 140.4 |
| 6 (CH) | 125.3 |
| 7 (C) | 145.1 |
| 8 (CH) | 115.6 |
| 9 (C) | 162.6 |
| 10 (C) | 126.2 |
| 1' (C) | 131 |
| 2' (CH) | 127.4 |
| 3' (CH) | 113.1 |
| 4' (C) | 159.3 |
| 5' (CH) | 113.1 |
| 6' (CH) | 127.4 |
| 5a (CH3) | 20.7 |
| 7a (CH3) | 21.3 |
| 4'a (CH3) | 55 |
