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Diethylmalonic acid, octyl 2-octyl ester

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

Diethylmalonic acid, octyl 2-octyl ester
SpectraBase Compound ID 7feGPCWlNX2
InChI InChI=1S/C23H44O4/c1-6-10-12-14-15-17-19-26-21(24)23(8-3,9-4)22(25)27-20(5)18-16-13-11-7-2/h20H,6-19H2,1-5H3
InChIKey QOGCHXIDCAEFIF-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E0DTyatceBF
Name Diethylmalonic acid, octyl 2-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.323959893 u
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-6-10-12-14-15-17-19-26-21(24)23(8-3,9-4)22(25)27-20(5)18-16-13-11-7-2/h20H,6-19H2,1-5H3
InChIKey QOGCHXIDCAEFIF-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958866