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

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

1,3-Dimethyl 2-[2-(2-chlorophenyl)ethyl]propanedioate
SpectraBase Compound ID 1HHtPhmLfFa
InChI InChI=1S/C13H15ClO4/c1-17-12(15)10(13(16)18-2)8-7-9-5-3-4-6-11(9)14/h3-6,10H,7-8H2,1-2H3
InChIKey HCSHOGSTOCCQRI-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 EAQH1fJIPfl
Name 1,3-Dimethyl 2-[2-(2-chlorophenyl)ethyl]propanedioate
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/c1-17-12(15)10(13(16)18-2)8-7-9-5-3-4-6-11(9)14/h3-6,10H,7-8H2,1-2H3
InChIKey HCSHOGSTOCCQRI-UHFFFAOYSA-N
SMILES C1=C(C(=CC=C1)CCC(C(OC)=O)C(OC)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847522