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Succinic acid, isobutyl 2,4,4-trimethylpentyl ester

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

Succinic acid, isobutyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID JuL5zQ9Urcw
InChI InChI=1S/C16H30O4/c1-12(2)10-19-14(17)7-8-15(18)20-11-13(3)9-16(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey RYRIKSJKBZIUFQ-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 4dxfiCMCdxI
Name Succinic acid, isobutyl 2,4,4-trimethylpentyl 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/c1-12(2)10-19-14(17)7-8-15(18)20-11-13(3)9-16(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey RYRIKSJKBZIUFQ-UHFFFAOYSA-N
SMILES C(CCC(OCC(CC(C)(C)C)C)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988571