| SpectraBase Compound ID | CtTCDKEWgVy |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-8-13-21-16(19)18(6-2,7-3)17(20)22-15-11-9-14(4)10-12-15/h14-15H,5-13H2,1-4H3 |
| InChIKey | IJUJPMHYBNUSML-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByYtUlWfM7a |
|---|---|
| Name | Diethylmalonic acid, butyl 4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-8-13-21-16(19)18(6-2,7-3)17(20)22-15-11-9-14(4)10-12-15/h14-15H,5-13H2,1-4H3 |
| InChIKey | IJUJPMHYBNUSML-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OC1CCC(C)CC1)=O |