| SpectraBase Spectrum ID |
CucleF4KEtN |
| Name |
Trans-2-(but-1-yn-1-yl)-1-(buta-2,3-dien-2-yl)-2-methylcyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-5-7-10-14(4)11-8-9-12-15(14,16)13(3)6-2/h16H,2,5,8-9,11-12H2,1,3-4H3/t14-,15-/m0/s1 |
| InChIKey |
BXSYQTGIJGIJCD-GJZGRUSLSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@]1([C@@](O)(C(=C=C)C)CCCC1)(C)C#CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87631 |
