| SpectraBase Compound ID | rvX7EyKzsA |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-17-25-20(23)22(3,4)21(24)26-19-15-13-18(2)14-16-19/h18-19H,5-17H2,1-4H3 |
| InChIKey | FLRGZQGFCSBNAF-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rqCnSuZNB |
|---|---|
| Name | Dimethylmalonic acid, cis-4-methylcyclohexyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-17-25-20(23)22(3,4)21(24)26-19-15-13-18(2)14-16-19/h18-19H,5-17H2,1-4H3 |
| InChIKey | FLRGZQGFCSBNAF-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C1C(CCC(C1)OC(C(C(OCCCCCCCCCC)=O)(C)C)=O)C |