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Succinic acid, 2-chloro-5-methylphenyl ethyl ester

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Succinic acid, 2-chloro-5-methylphenyl ethyl ester
SpectraBase Compound ID 7KgoUpvszk5
InChI InChI=1S/C13H15ClO4/c1-3-17-12(15)6-7-13(16)18-11-8-9(2)4-5-10(11)14/h4-5,8H,3,6-7H2,1-2H3
InChIKey GHDIOAUFCRONLN-UHFFFAOYSA-N
Mol Weight 270.71 g/mol
Molecular Formula C13H15ClO4
Exact Mass 270.065887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 989XcepHlso
Name Succinic acid, 2-chloro-5-methylphenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.065886659 u
Formula C13H15ClO4
InChI InChI=1S/C13H15ClO4/c1-3-17-12(15)6-7-13(16)18-11-8-9(2)4-5-10(11)14/h4-5,8H,3,6-7H2,1-2H3
InChIKey GHDIOAUFCRONLN-UHFFFAOYSA-N
SMILES C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90296