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Succinic acid, 2-chloro-4-methylphenyl propyl ester

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

Succinic acid, 2-chloro-4-methylphenyl propyl ester
SpectraBase Compound ID Ldjob2ADKFh
InChI InChI=1S/C14H17ClO4/c1-3-8-18-13(16)6-7-14(17)19-12-5-4-10(2)9-11(12)15/h4-5,9H,3,6-8H2,1-2H3
InChIKey OEPLFLUEGHIZJG-UHFFFAOYSA-N
Mol Weight 284.74 g/mol
Molecular Formula C14H17ClO4
Exact Mass 284.081537 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ldNmYU0TCx
Name Succinic acid, 2-chloro-4-methylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.081536723 u
Formula C14H17ClO4
InChI InChI=1S/C14H17ClO4/c1-3-8-18-13(16)6-7-14(17)19-12-5-4-10(2)9-11(12)15/h4-5,9H,3,6-8H2,1-2H3
InChIKey OEPLFLUEGHIZJG-UHFFFAOYSA-N
Molecular Weight 284.739 g/mol
SMILES C(OC1=C(C=C(C=C1)C)Cl)(CCC(=O)OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913006