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Diethylmalonic acid, isobutyl 4-methylcyclohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, isobutyl 4-methylcyclohexyl ester
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Oc9hkMUgNs
Name Diethylmalonic acid, isobutyl 4-methylcyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907028