| SpectraBase Spectrum ID |
HHqeW58NAEQ |
| Name |
(.beta.S,1R)-.beta.,1-Dimethyl-2-oxocyclohexanepropanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-8(7-10(13)14)11(2)6-4-3-5-9(11)12/h8H,3-7H2,1-2H3,(H,13,14)/t8-,11+/m0/s1 |
| InChIKey |
VVLYCCMVVLMMRK-GZMMTYOYSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
[C@]1([C@](CC(=O)O)(C)[H])(C(=O)CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937239 |
