Spektraris NMR
trans-1-Isocyano-1-methyl-4-(6-methyl-1,5-heptadien-2-yl)cyclohexane
Common Name: trans-1-Isocyano-1-methyl-4-(6-methyl-1,5-heptadien-2-yl)cyclohexane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H25N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h7,15H,3,6,8-12H2,1-2,4H3/t15-,16-
InChIKey: InChIKey=AUJRLJBMOPBACN-WKILWMFISA-N
Formula: C16H26N1
Molecular Weight: 232.384977
Exact Mass: 232.206525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manzo, E., Ciavatta, M.L., Gavagnin, M., Mollo, E., Guo, Y.W., Cimino, G. J Nat Prod (2004) 67, 1701-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (CH2) | 26.7 |
| 2 (CH2) | 38.5 |
| 3 (C) | 56.8 |
| 4 (CH2) | 38.5 |
| 5 (CH2) | 26.7 |
| 6 (CH) | 40.9 |
| 7 (C) | 152.3 |
| 8 (CH2) | 34.7 |
| 9 (CH2) | 26.5 |
| 10 (CH) | 123.9 |
| 11 (C) | 131.5 |
| 12 (CH3) | 25.6 |
| 13 (CH3) | 25.3 |
| 14 (CH2) | 107.8 |
| 15 (CH3) | 17.6 |
