| SpectraBase Spectrum ID |
LVpBt9cJ1kE |
| Name |
4,4-Dimethyl-2-(4-isopropyl-3-methoxyphenylmethyl)-3-vinyl-2-cyclohexaneone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-7-18-17(19(22)10-11-21(18,4)5)12-15-8-9-16(14(2)3)20(13-15)23-6/h7-9,13-14H,1,10-12H2,2-6H3 |
| InChIKey |
OZGHLQDTTUPRMZ-UHFFFAOYSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C1(=C(C(C)(C)CCC1=O)C=C)CC=1C=C(OC)C(=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933555 |
