Spektraris NMR
ZINC104215400
Common Name: ZINC104215400
Synonyms: ZINC104215400
CAS Registry Number:
InChI: InChI=1S/C16H13NO3/c1-19-13-3-2-4-14-16(13)12(18)9-15(20-14)10-5-7-11(17)8-6-10/h2-9H,17H2,1H3
InChIKey: InChIKey=BQMAQBCLMMMJCK-UHFFFAOYSA-N
Formula: C16H13N1O3
Molecular Weight: 267.279962
Exact Mass: 267.089543
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) | 161.7 |
| 3 (CH) | 104.9 |
| 4 (C) | 176.7 |
| 5 (C) | 159.4 |
| 6 (CH) | 107.4 |
| 7 (CH) | 134.2 |
| 8 (CH) | 110.3 |
| 9 (C) | 157.9 |
| 10 (C) | 114.1 |
| 1' (C) | 117.1 |
| 2' (CH) | 128.1 |
| 3' (CH) | 113.9 |
| 4' (C) | 152.8 |
| 5' (CH) | 113.9 |
| 6' (CH) | 128.1 |
| 5a (CH3) | 56.5 |
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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.