Spektraris NMR
CHEMBL520896
Common Name: CHEMBL520896
Synonyms: CHEMBL520896
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9(8-16)13-12(18)7-15(13,4)10-5-14(2,3)6-11(10)17/h8,10H,5-7H2,1-4H3/b13-9-/t10-,15+/m0/s1
InChIKey: InChIKey=RNWUCASUYIJNMB-KHPIQFKPSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McMorris, T.C., Lira, R., Gantzel, P.K., Kelner, M.J., Dawe, R. J Nat Prod (2000) 63, 1557-9
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) | 191 |
| 2 (C) | 161.9 |
| 3 (C) | 134.3 |
| 4 (C) | 216.8 |
| 5 (CH2) | 55.2 |
| 6 (C) | 33.2 |
| 7 (CH) | 55.5 |
| 8 (CH2) | 43.1 |
| 9 (C) | 41.7 |
| 10 (CH2) | 54.3 |
| 11 (C) | 198.7 |
| 12 (CH3) | 11.8 |
| 13 (CH3) | 27.7 |
| 14 (CH3) | 27.6 |
| 15 (CH3) | 33.2 |
