| SpectraBase Spectrum ID |
6LFKjBBGTSv |
| Name |
(1S,5R)-1-[(1R)-1-Isopropylallyl]-2-isopropylidene-5-methyl-cyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-7-14(11(2)3)16(17)10-13(6)8-9-15(16)12(4)5/h7,11,13-14,17H,1,8-10H2,2-6H3/t13-,14+,16+/m1/s1 |
| InChIKey |
BZQPCDKPAXNWJR-YCPHGPKFSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
[C@@]1(C(=C(C)C)CC[C@](C1)(C)[H])([C@@](C=C)(C(C)C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949105 |
![(1S,5R)-1-[(1R)-1-isopropylallyl]-2-isopropylidene-5-methyl-cyclohexanol](/api/spectrum/6LFKjBBGTSv/structure.png?h=300&w=458 "(1S,5R)-1-[(1R)-1-isopropylallyl]-2-isopropylidene-5-methyl-cyclohexanol")
