| SpectraBase Spectrum ID |
3P1vJO75pzD |
| Name |
(Z)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5- |
| InChIKey |
CVDHBGKYPTUEAA-WAYWQWQTSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
C1(=C(C(=O)CCC1(C)C)C)C\C=C/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874349 |
