Spektraris NMR
Baccharisketone
Common Name: Baccharisketone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-11(2)15(10-7-13(4)16)14-8-5-12(3)6-9-14/h5-6,8-9,11,15H,7,10H2,1-4H3
InChIKey: InChIKey=JEPAXNFSAHIYJD-UHFFFAOYSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukuda, M., Ohkoshi, E., Makino, M., Fujimoto, Y. Chem Pharm Bull (2006) 54, 1465-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (CH) | 128.3 |
| 2 (CH) | 128.9 |
| 3 (C) | 135.5 |
| 4 (CH) | 128.9 |
| 5 (CH) | 128.3 |
| 6 (C) | 140.5 |
| 7 (CH) | 52 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 42.2 |
| 10 (C) | 209.3 |
| 11 (CH3) | 30 |
| 12 (CH) | 33.6 |
| 13 (CH3) | 20.8 |
| 14 (CH3) | 20.9 |
| 15 (CH3) | 21 |
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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.