Spektraris NMR
Isocomene
Common Name: Isocomene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15?/m0/s1
InChIKey: InChIKey=SAOJPWFHRMUCFN-JCHYFPDLSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Comey, N., Grey, A.I., Hook, I.L., James, P., Sheridan, H. Phytochemistry (1999) 50, 1057-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isocomanes; 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) | 56.7 |
| 2 (CH) | 137.4 |
| 3 (C) | 138 |
| 4 (C) | 60.1 |
| 5 (CH2) | 42.4 |
| 6 (CH2) | 35.5 |
| 7 (CH) | 33.4 |
| 8 (C) | 64 |
| 9 (CH2) | 33.1 |
| 10 (CH2) | 24 |
| 11 (CH2) | 42.4 |
| 12 (CH3) | 23.9 |
| 13 (CH3) | 14.3 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 16.7 |
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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.