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Sebacic acid, 2-ethoxyethyl isohexyl ester

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

Sebacic acid, 2-ethoxyethyl isohexyl ester
SpectraBase Compound ID FNOI8iRbXjA
InChI InChI=1S/C20H38O5/c1-4-23-16-17-25-20(22)14-10-8-6-5-7-9-13-19(21)24-15-11-12-18(2)3/h18H,4-17H2,1-3H3
InChIKey ILWARJWIHVHAFI-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C20H38O5
Exact Mass 358.271924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DTKhjA7DBjG
Name Sebacic acid, 2-ethoxyethyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.271924319 u
Formula C20H38O5
InChI InChI=1S/C20H38O5/c1-4-23-16-17-25-20(22)14-10-8-6-5-7-9-13-19(21)24-15-11-12-18(2)3/h18H,4-17H2,1-3H3
InChIKey ILWARJWIHVHAFI-UHFFFAOYSA-N
Molecular Weight 358.519 g/mol
SMILES C(C(OCCOCC)=O)CCCCCCCC(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929528