Spektraris NMR
3934-86-9
Common Name: 3934-86-9
Synonyms: 3934-86-9
CAS Registry Number:
InChI: InChI=1S/C9H10O5/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,10-11H,1-2H3
InChIKey: InChIKey=LVVUKXKEXOTUPV-UHFFFAOYSA-N
Formula: C9H10O5
Molecular Weight: 198.173055
Exact Mass: 198.052823
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251
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) | 122 |
| 2 (CH) | 105 |
| 3 (C) | 143.6 |
| 4 (C) | 137 |
| 5 (C) | 146.6 |
| 6 (CH) | 111.2 |
| 7 (C) | 167.1 |
| 3a (CH3) | 56.5 |
| 7a (CH3) | 52.3 |
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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.