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Succinic acid, 3,3-dimethylbut-2-yl isohexyl ester

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

Succinic acid, 3,3-dimethylbut-2-yl isohexyl ester
SpectraBase Compound ID LyDiA1iUM72
InChI InChI=1S/C16H30O4/c1-12(2)8-7-11-19-14(17)9-10-15(18)20-13(3)16(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey NGDUGFJYLBDDIB-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 2wy9MJl8UoD
Name Succinic acid, 3,3-dimethylbut-2-yl isohexyl 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)8-7-11-19-14(17)9-10-15(18)20-13(3)16(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey NGDUGFJYLBDDIB-UHFFFAOYSA-N
SMILES C(CC(OC(C(C)(C)C)C)=O)C(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871529