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1,3-Dimethyl 2-[2-(2-chlorophenyl)ethylidene]propanedioate

View entire compound with spectra: 1 FTIR

1,3-Dimethyl 2-[2-(2-chlorophenyl)ethylidene]propanedioate
SpectraBase Compound ID IxlvVdxqa0G
InChI InChI=1S/C13H13ClO4/c1-17-12(15)10(13(16)18-2)8-7-9-5-3-4-6-11(9)14/h3-6,8H,7H2,1-2H3
InChIKey DTHZRVXHOZASGO-UHFFFAOYSA-N
Mol Weight 268.7 g/mol
Molecular Formula C13H13ClO4
Exact Mass 268.050237 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AfV24ocCYdJ
Name 1,3-Dimethyl 2-[2-(2-chlorophenyl)ethylidene]propanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.050236595 u
Formula C13H13ClO4
InChI InChI=1S/C13H13ClO4/c1-17-12(15)10(13(16)18-2)8-7-9-5-3-4-6-11(9)14/h3-6,8H,7H2,1-2H3
InChIKey DTHZRVXHOZASGO-UHFFFAOYSA-N
Molecular Weight 268.696 g/mol
SMILES C1(=C(C=CC=C1)Cl)CC=C(C(OC)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834344