| SpectraBase Compound ID | KNCz3a59onA |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-6-18(7-2,16(19)21-12-13(3)4)17(20)22-15-10-8-14(5)9-11-15/h13-15H,6-12H2,1-5H3 |
| InChIKey | DAFMBYWWTFOKCE-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 | 5U0yak4VYJj |
|---|---|
| Name | Diethylmalonic acid, isobutyl 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/c1-6-18(7-2,16(19)21-12-13(3)4)17(20)22-15-10-8-14(5)9-11-15/h13-15H,6-12H2,1-5H3 |
| InChIKey | DAFMBYWWTFOKCE-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)(C)C |