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Diethylmalonic acid, hept-4-yl undecyl ester

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

Diethylmalonic acid, hept-4-yl undecyl ester
SpectraBase Compound ID 2RABcv2u5ke
InChI InChI=1S/C25H48O4/c1-6-11-12-13-14-15-16-17-18-21-28-23(26)25(9-4,10-5)24(27)29-22(19-7-2)20-8-3/h22H,6-21H2,1-5H3
InChIKey CFKHMKXJPIHOLS-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DreEwC0iCgT
Name Diethylmalonic acid, hept-4-yl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.355260022 u
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-6-11-12-13-14-15-16-17-18-21-28-23(26)25(9-4,10-5)24(27)29-22(19-7-2)20-8-3/h22H,6-21H2,1-5H3
InChIKey CFKHMKXJPIHOLS-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865701