| SpectraBase Compound ID | 7PrAIUbJhtc |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | PGJSABZOWJTODI-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jU13lCT9JM |
|---|---|
| Name | 2-Methylvaleric acid, cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | PGJSABZOWJTODI-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(C(C(=O)OCC1CCCCC1)C)CC |