| SpectraBase Spectrum ID |
7N2xUYsW5Qa |
| Name |
(2R,3S)-3-Isopropyl-2-vinyl-cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.151415263 u |
| Formula |
C12H20O |
| InChI |
InChI=1S/C12H20O/c1-3-5-7-10-8-6-9-12(13)11(10)4-2/h4,10-11H,2-3,5-9H2,1H3/t10-,11-/m1/s1 |
| InChIKey |
DSEMIOYITRABGZ-GHMZBOCLSA-N |
| Molecular Weight |
180.291 g/mol |
| SMILES |
[C@]1(C(=O)CCC[C@]1(CCCC)[H])(C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93271 |
