| SpectraBase Spectrum ID |
6e7FtooBzRX |
| Name |
(cis)-2-Allyl-1-(2'-propenyl)cyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.156500644 u |
| Formula |
C12H20 |
| InChI |
InChI=1S/C12H20/c1-4-7-11-8-5-6-9-12(11)10(2)3/h4,11-12H,1-2,5-9H2,3H3/t11-,12-/m1/s1 |
| InChIKey |
AEAOXELJROSHIZ-VXGBXAGGSA-N |
| Molecular Weight |
164.292 g/mol |
| SMILES |
C([C@@]1([C@](CC=C)(CCCC1)[H])[H])(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819444 |
