| SpectraBase Spectrum ID |
LMO40QiGbz5 |
| Name |
beta-Hydroxy-A-methyl-2-oxocyclohexanevaleric acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-9(13(16)17-2)11(14)8-7-10-5-3-4-6-12(10)15/h9-11,14H,3-8H2,1-2H3 |
| InChIKey |
DFUPJZBFLPIIRJ-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
OC(CCC1C(CCCC1)=O)C(C(OC)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.919139 |
