| SpectraBase Compound ID | 1xSrgwFTOfV |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-12-20-15(18)17(6-2,7-3)16(19)21-14-10-8-13(4)9-11-14/h13-14H,5-12H2,1-4H3 |
| InChIKey | ZORXPUWRPOWNGJ-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GATanMQCyOb |
|---|---|
| Name | Diethylmalonic acid, 4-methylcyclohexyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-12-20-15(18)17(6-2,7-3)16(19)21-14-10-8-13(4)9-11-14/h13-14H,5-12H2,1-4H3 |
| InChIKey | ZORXPUWRPOWNGJ-UHFFFAOYSA-N |
| SMILES | C(C(C(OCCC)=O)(CC)CC)(OC1CCC(C)CC1)=O |