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

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

Succinic acid, 2,4-dimethylpent-3-yl pentyl ester
SpectraBase Compound ID HEwQKMaKaR7
InChI InChI=1S/C16H30O4/c1-6-7-8-11-19-14(17)9-10-15(18)20-16(12(2)3)13(4)5/h12-13,16H,6-11H2,1-5H3
InChIKey WDTUVONHNGNQBU-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2yjFEfUEgRJ
Name Succinic acid, 2,4-dimethylpent-3-yl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.214409442 u
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-6-7-8-11-19-14(17)9-10-15(18)20-16(12(2)3)13(4)5/h12-13,16H,6-11H2,1-5H3
InChIKey WDTUVONHNGNQBU-UHFFFAOYSA-N
SMILES C(OC(C(C)C)C(C)C)(CCC(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936941