Spektraris NMR
3,7-Dimethyl-n-octan-3a-ol-1-yl-benzoate
Common Name: 3,7-Dimethyl-n-octan-3a-ol-1-yl-benzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-14(2)8-7-11-17(3,19)12-13-20-16(18)15-9-5-4-6-10-15/h4-6,9-10,14,19H,7-8,11-13H2,1-3H3/t17-/m1/s1
InChIKey: InChIKey=ULBOPHTXADFUBM-QGZVFWFLSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chung, I.M., Ali, M., Hahn, S.J., Siddiqui, N.A., Lim, Y.H., Ahmad, A. Chem Nat Compd (2005) 41, 182-9
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Dimethyloctanes; 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) | 68.3 |
| 2 (CH2) | 30.54 |
| 3 (C) | 67.21 |
| 4 (CH2) | 29.85 |
| 5 (CH2) | 23.93 |
| 6 (CH2) | 23.14 |
| 7 (CH) | 38.92 |
| 8 (CH3) | 11.11 |
| 9 (CH3) | 29.09 |
| 10 (CH3) | 14.19 |
| 1a (C) | 167.89 |
| 1b (C) | 132.64 |
| 1c (CH) | 131.02 |
| 1d (CH) | 128.96 |
| 1e (CH) | 131.02 |
| 1f (CH) | 128.02 |
| 1g (CH) | 131.02 |
