| SpectraBase Compound ID | AwWOkdDmqn |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-5-8-9-10-11-12-13-14-19-27-22(25)24(6-2,7-3)23(26)28-21-17-15-20(4)16-18-21/h20-21H,5-19H2,1-4H3 |
| InChIKey | AYWQDMRLOQVWCY-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KV7X9zeBdll |
|---|---|
| Name | Diethylmalonic acid, decyl 4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-5-8-9-10-11-12-13-14-19-27-22(25)24(6-2,7-3)23(26)28-21-17-15-20(4)16-18-21/h20-21H,5-19H2,1-4H3 |
| InChIKey | AYWQDMRLOQVWCY-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)CCCCCCCC |