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Succinic acid, octyl 4-octyl ester

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

Succinic acid, octyl 4-octyl ester
SpectraBase Compound ID CQUda2lVJ2v
InChI InChI=1S/C20H38O4/c1-4-7-9-10-11-12-17-23-19(21)15-16-20(22)24-18(13-6-3)14-8-5-2/h18H,4-17H2,1-3H3
InChIKey NGCHQFGQAJUOMU-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 23OUgyWdfHe
Name Succinic acid, octyl 4-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-4-7-9-10-11-12-17-23-19(21)15-16-20(22)24-18(13-6-3)14-8-5-2/h18H,4-17H2,1-3H3
InChIKey NGCHQFGQAJUOMU-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES CCCCCCCCOC(CCC(OC(CCCC)CCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916502