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Propanedioic acid, [(3-chlorophenyl)methylene]-, diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Propanedioic acid, [(3-chlorophenyl)methylene]-, diethyl ester
SpectraBase Compound ID E597u13Y3d7
InChI InChI=1S/C14H15ClO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-6-5-7-11(15)8-10/h5-9H,3-4H2,1-2H3
InChIKey ASZSQVRNXYEROB-UHFFFAOYSA-N
Mol Weight 282.72 g/mol
Molecular Formula C14H15ClO4
Exact Mass 282.065887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FzZdNQ8tPuB
Name Propanedioic acid, [(3-chlorophenyl)methylene]-, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.065886659 u
Formula C14H15ClO4
InChI InChI=1S/C14H15ClO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-6-5-7-11(15)8-10/h5-9H,3-4H2,1-2H3
InChIKey ASZSQVRNXYEROB-UHFFFAOYSA-N
SMILES C(=CC1=CC(Cl)=CC=C1)(C(OCC)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978701