Spektraris NMR
Apional
Common Name: Apional
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10(15-2)12-11(9)16-7-17-12/h3-6H,7H2,1-2H3/b4-3+
InChIKey: InChIKey=WTHYSOXPCHPBOG-ONEGZZNKSA-N
Formula: C12H12O5
Molecular Weight: 236.221144
Exact Mass: 236.068473
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Jakupovic, J., Bossio, E. Phytochemistry (1998) 49, 1719-22
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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 |
| 2 (C) | 138.1 |
| 3 (C) | 140.1 |
| 4 (C) | 139.5 |
| 5 (C) | 138.5 |
| 6 (CH) | 106 |
| 7 (CH) | 147.6 |
| 8 (CH) | 127.7 |
| 9 (CH) | 194.2 |
| 2a (CH3) | 60.4 |
| 3a (CH2) | 102.4 |
| 5a (CH3) | 56.8 |
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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.