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

View entire compound with spectra: 1 FTIR

Succinic acid, 4-chloro-3-methylphenyl 2-propylphenyl ester
SpectraBase Compound ID J5uidGMmAE0
InChI InChI=1S/C20H21ClO4/c1-3-6-15-7-4-5-8-18(15)25-20(23)12-11-19(22)24-16-9-10-17(21)14(2)13-16/h4-5,7-10,13H,3,6,11-12H2,1-2H3
InChIKey OMDPJHQJBAPOOK-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KLy7FNSnxvn
Name Succinic acid, 4-chloro-3-methylphenyl 2-propylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.112836852 u
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-3-6-15-7-4-5-8-18(15)25-20(23)12-11-19(22)24-16-9-10-17(21)14(2)13-16/h4-5,7-10,13H,3,6,11-12H2,1-2H3
InChIKey OMDPJHQJBAPOOK-UHFFFAOYSA-N
Molecular Weight 360.837 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC=1C(CCC)=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936771