Spektraris NMR
SCHEMBL15269009
Common Name: SCHEMBL15269009
Synonyms: SCHEMBL15269009
CAS Registry Number:
InChI: InChI=1S/C8H9NO5/c1-14-4-2-3(8(12)13)5(9)7(11)6(4)10/h2,10-11H,9H2,1H3,(H,12,13)
InChIKey: InChIKey=SKSWIIXKACKGED-UHFFFAOYSA-N
Formula: C8H9N1O5
Molecular Weight: 199.161122
Exact Mass: 199.048072
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, J., Lu, Y., Su, X., Li, F., She, Z., He, X., Lin, Y. Planta Med (2008) 74, 287-9
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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 |
|---|---|
| 1 (C) | 120.7 |
| 2 (C) | 128.2 |
| 3 (C) | 147.5 |
| 4 (C) | 140.7 |
| 5 (C) | 153.8 |
| 6 (CH) | 107.3 |
| 7 (C) | 167 |
| 5a (CH3) | 55.8 |
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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.