| SpectraBase Spectrum ID |
54ByetCeOhd |
| Name |
(2R*,3R*)-3-Methyl-2-ethenylcyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
138.104465070 u |
| Formula |
C9H14O |
| InChI |
InChI=1S/C9H14O/c1-3-8-7(2)5-4-6-9(8)10/h3,7-8H,1,4-6H2,2H3/t7-,8-/m1/s1 |
| InChIKey |
UBKVMWUIUJPGOY-HTQZYQBOSA-N |
| Molecular Weight |
138.210 g/mol |
| SMILES |
[C@]1(C(=O)CCC[C@]1(C)[H])(C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903872 |
