| SpectraBase Compound ID | IsxJTCWSdVA |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-9(2)5-13(14)15-12-7-10(3)6-11(4)8-12/h5,10-12H,6-8H2,1-4H3 |
| InChIKey | LSPWPDRVUWSDLX-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWbKgYfl8PN |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 3,5-dimethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-9(2)5-13(14)15-12-7-10(3)6-11(4)8-12/h5,10-12H,6-8H2,1-4H3 |
| InChIKey | LSPWPDRVUWSDLX-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | CC1CC(CC(C)C1)OC(=O)C=C(C)C |