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Succinic acid, 4-methylbenzyl pentyl ester

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

Succinic acid, 4-methylbenzyl pentyl ester
SpectraBase Compound ID 6wwTaSFMeqq
InChI InChI=1S/C17H24O4/c1-3-4-5-12-20-16(18)10-11-17(19)21-13-15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChIKey FISYCMJJQQJGFR-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 7wUyQ6LuteA
Name Succinic acid, 4-methylbenzyl pentyl 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/c1-3-4-5-12-20-16(18)10-11-17(19)21-13-15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChIKey FISYCMJJQQJGFR-UHFFFAOYSA-N
SMILES C(CCC(OCC=1C=CC(=CC1)C)=O)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922836