| SpectraBase Spectrum ID |
6Bcn0J9Xoku |
| Name |
(E,2S)-4-[(1S)-2,2-Dimethyl-6-methylene-cyclohexyl]but-3-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11-12,14H,1,5-6,9H2,2-4H3/b8-7+/t11-,12+/m0/s1 |
| InChIKey |
QMRRUJDIUVCDMC-ADYIUWEDSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
[C@@]1(\C=C\[C@@](O)(C)[H])(C(=C)CCCC1(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969918 |
![(E,2S)-4-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]but-3-en-2-ol](/api/spectrum/6Bcn0J9Xoku/structure.png?h=300&w=458 "(E,2S)-4-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]but-3-en-2-ol")
