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Succinic acid, 2-ethylhexyl 2,4-dimethylpent-3-yl ester

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

Succinic acid, 2-ethylhexyl 2,4-dimethylpent-3-yl ester
SpectraBase Compound ID HjSInItlyDU
InChI InChI=1S/C19H36O4/c1-7-9-10-16(8-2)13-22-17(20)11-12-18(21)23-19(14(3)4)15(5)6/h14-16,19H,7-13H2,1-6H3
InChIKey AUVOXXRNZIFSKU-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9sHFHY8vVzs
Name Succinic acid, 2-ethylhexyl 2,4-dimethylpent-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.261359635 u
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-7-9-10-16(8-2)13-22-17(20)11-12-18(21)23-19(14(3)4)15(5)6/h14-16,19H,7-13H2,1-6H3
InChIKey AUVOXXRNZIFSKU-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC(C(C)C)C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947934