| SpectraBase Spectrum ID |
9rdmYU26QMG |
| Name |
(1''R)-(1'E)-3-[2'-(2'',2''-Dimethyl-6''-methylenecyclohexyl)ethylidene]butane-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.193280075 u |
| Formula |
C15H26O2 |
| InChI |
InChI=1S/C15H26O2/c1-12-5-4-9-15(2,3)14(12)7-6-13(11-17)8-10-16/h6,14,16-17H,1,4-5,7-11H2,2-3H3/b13-6+/t14-/m0/s1 |
| InChIKey |
XXUVRPYRGASAIW-BLXFFLACSA-N |
| Molecular Weight |
238.371 g/mol |
| SMILES |
[C@]1(C(=C)CCCC1(C)C)(C\C=C\(CO)CCO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923446 |
![(1''R)-(1'E)-3-[2'-(2'',2''-Dimethyl-6''-methylenecyclohexyl)ethylidene]butane-1,4-diol](/api/spectrum/9rdmYU26QMG/structure.png?h=300&w=458 "(1''R)-(1'E)-3-[2'-(2'',2''-Dimethyl-6''-methylenecyclohexyl)ethylidene]butane-1,4-diol")
