| SpectraBase Spectrum ID |
KjuzWUpLriq |
| Name |
3-Methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-buten-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-10(2)9-12(15)13-11(3)7-6-8-14(13,4)5/h7,9,13H,6,8H2,1-5H3 |
| InChIKey |
XICOPUZTBBSGCF-UHFFFAOYSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
C(C1C(=CCCC1(C)C)C)(C=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837427 |
