| SpectraBase Spectrum ID |
Jsh8ikTQ9B2 |
| Name |
(1S,3R)-3-(2-Hydroxyethyl)-5-keto-cyclohexanecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.089208927 u |
| Formula |
C9H14O4 |
| InChI |
InChI=1S/C9H14O4/c10-2-1-6-3-7(9(12)13)5-8(11)4-6/h6-7,10H,1-5H2,(H,12,13)/t6-,7-/m0/s1 |
| InChIKey |
CSTYXUJWSOQYHF-BQBZGAKWSA-N |
| Molecular Weight |
186.207 g/mol |
| SMILES |
[C@]1(C(=O)O)(CC(=O)C[C@](C1)(CCO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979801 |
