Spektraris NMR
4712-12-3
Common Name: 4712-12-3
Synonyms: 4712-12-3
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3
InChIKey: InChIKey=AOLOMULCAJQEIG-UHFFFAOYSA-N
Formula: C17H14O6
Molecular Weight: 314.29011
Exact Mass: 314.079038
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - B. Mendaz, A. C. Rojas, A. Bahsas, R. Jaimes, J. Triana Acta Cient Venez (1980) 31, 394
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) | 163.4 |
| 3 (CH) | 103.9 |
| 4 (C) | 181.9 |
| 5 (C) | 161.5 |
| 6 (CH) | 98.8 |
| 7 (C) | 164.3 |
| 8 (CH) | 94.1 |
| 9 (C) | 157.4 |
| 10 (C) | 103.8 |
| 1' (C) | 122.9 |
| 2' (CH) | 109.5 |
| 3' (C) | 149 |
| 4' (C) | 152 |
| 5' (CH) | 111.8 |
| 6' (CH) | 120.1 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 55.9 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.