| SpectraBase Spectrum ID |
K7nNhxtvd34 |
| Name |
Methyl (.alpha.S,1R)-.alpha.,1-dimethyl-2-oxocyclohexanepropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-9(11(14)15-3)8-12(2)7-5-4-6-10(12)13/h9H,4-8H2,1-3H3/t9-,12+/m0/s1 |
| InChIKey |
XJRZYFMRAWIWKL-JOYOIKCWSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
[C@]1(C[C@@](C(=O)OC)(C)[H])(C(=O)CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967834 |
