| SpectraBase Compound ID | 3g911Bitmne |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-16-24-19(22)21(3,4)20(23)25-18-14-12-17(2)13-15-18/h17-18H,5-16H2,1-4H3 |
| InChIKey | JIQNHCVCQGPNRL-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhJHMC7nTwX |
|---|---|
| Name | Dimethylmalonic acid, cis-4-methylcyclohexyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-16-24-19(22)21(3,4)20(23)25-18-14-12-17(2)13-15-18/h17-18H,5-16H2,1-4H3 |
| InChIKey | JIQNHCVCQGPNRL-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C1C(CCC(C1)OC(C(C(OCCCCCCCCC)=O)(C)C)=O)C |