Spektraris NMR
Oprea1_389178
Common Name: Oprea1_389178
Synonyms: Oprea1_389178
CAS Registry Number:
InChI: InChI=1S/C15H9NO6/c17-10-5-12(18)14-13(6-10)22-7-11(15(14)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
InChIKey: InChIKey=MBIGOEQMRVYLDL-UHFFFAOYSA-N
Formula: C15H9N1O6
Molecular Weight: 299.235678
Exact Mass: 299.042987
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Pelter, A., Ward, R.S., Bass, R.J. J Chem Soc, Perkin Trans 1 (1978) 0, 666-8
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 155.5 |
| 3 (C) | 120.7 |
| 4 (C) | 179.2 |
| 5 (C) | 162.3 |
| 6 (CH) | 99.7 |
| 7 (C) | 164.9 |
| 8 (CH) | 94.1 |
| 9 (C) | 157.6 |
| 10 (C) | 104.6 |
| 1' (C) | 138.1 |
| 2' (CH) | 129.8 |
| 3' (CH) | 123.1 |
| 4' (C) | 147.1 |
| 5' (CH) | 123.1 |
| 6' (CH) | 129.8 |
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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.