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Succinic acid, 4-chloro-3-methylphenyl 2-ethylbutyl ester

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

Succinic acid, 4-chloro-3-methylphenyl 2-ethylbutyl ester
SpectraBase Compound ID 1K3jmKmtKpe
InChI InChI=1S/C17H23ClO4/c1-4-13(5-2)11-21-16(19)8-9-17(20)22-14-6-7-15(18)12(3)10-14/h6-7,10,13H,4-5,8-9,11H2,1-3H3
InChIKey FJBFHAUBEDEGED-UHFFFAOYSA-N
Mol Weight 326.82 g/mol
Molecular Formula C17H23ClO4
Exact Mass 326.128487 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AjHVpZRIELX
Name Succinic acid, 4-chloro-3-methylphenyl 2-ethylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.128486917 u
Formula C17H23ClO4
InChI InChI=1S/C17H23ClO4/c1-4-13(5-2)11-21-16(19)8-9-17(20)22-14-6-7-15(18)12(3)10-14/h6-7,10,13H,4-5,8-9,11H2,1-3H3
InChIKey FJBFHAUBEDEGED-UHFFFAOYSA-N
Molecular Weight 326.820 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823886