| SpectraBase Compound ID | CfBfy8EA4gu |
|---|---|
| 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 |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9vtXBXM7OS |
|---|---|
| Name | beta-Hydroxy-A-methyl-2-oxocyclohexanevaleric acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |