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Succinic acid, 3,4-dimethylphenyl 2-methylbutyl ester

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

Succinic acid, 3,4-dimethylphenyl 2-methylbutyl ester
SpectraBase Compound ID K1qMEy0wujt
InChI InChI=1S/C17H24O4/c1-5-12(2)11-20-16(18)8-9-17(19)21-15-7-6-13(3)14(4)10-15/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKey TWWGONYPRDXXKX-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LvnpZDxh6b1
Name Succinic acid, 3,4-dimethylphenyl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-5-12(2)11-20-16(18)8-9-17(19)21-15-7-6-13(3)14(4)10-15/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKey TWWGONYPRDXXKX-UHFFFAOYSA-N
SMILES C1=C(C=C(C(=C1)C)C)OC(=O)CCC(=O)OCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902212