Spektraris NMR
ZINC105638269
Common Name: ZINC105638269
Synonyms: ZINC105638269
CAS Registry Number:
InChI: InChI=1S/C15H11NO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9H,16H2
InChIKey: InChIKey=NKGFDLMJJQGFKW-UHFFFAOYSA-N
Formula: C15H11N1O2
Molecular Weight: 237.25394
Exact Mass: 237.078979
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) | 163.7 |
| 3 (CH) | 107.5 |
| 4 (C) | 178.6 |
| 5 (CH) | 125.6 |
| 6 (CH) | 125.1 |
| 7 (CH) | 133.7 |
| 8 (CH) | 118 |
| 9 (C) | 156.2 |
| 10 (C) | 123.9 |
| 1' (C) | 132.7 |
| 2' (C) | 147 |
| 3' (CH) | 112.3 |
| 4' (CH) | 130 |
| 5' (CH) | 118.1 |
| 6' (CH) | 116.5 |
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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.