Spektraris NMR
Indicanone
Common Name: Indicanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-9(2)11-4-5-12(8-16)14-7-15(17)10(3)13(14)6-11/h11,16H,1,4-8H2,2-3H3
InChIKey: InChIKey=BIWBNAFBKLFTGT-UHFFFAOYSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.Y., Unehara, T., Kitanaka, S. Chem Pharm Bull (2005) 53, 137-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 13 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) | 133.5 |
| 2 (CH2) | 39.3 |
| 3 (C) | 203.6 |
| 4 (C) | 139.9 |
| 5 (C) | 167.2 |
| 6 (CH2) | 34 |
| 7 (CH) | 44 |
| 8 (CH2) | 33.3 |
| 9 (CH2) | 29 |
| 10 (C) | 139.6 |
| 11 (C) | 150.7 |
| 12 (CH2) | 109.8 |
| 13 (CH3) | 20.6 |
| 14 (CH2) | 65.2 |
| 15 (CH3) | 8.4 |
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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.