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1-Ethyl 3-methyl 2-[2-(2-chlorophenyl)ethyl]propanedioate

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

1-Ethyl 3-methyl 2-[2-(2-chlorophenyl)ethyl]propanedioate
SpectraBase Compound ID BnbKSnFpNII
InChI InChI=1S/C14H17ClO4/c1-3-19-14(17)11(13(16)18-2)9-8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3
InChIKey MAFISKGJEHKIFP-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 FdWX1h9X52c
Name 1-Ethyl 3-methyl 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 284.081536723 u
Formula C14H17ClO4
InChI InChI=1S/C14H17ClO4/c1-3-19-14(17)11(13(16)18-2)9-8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3
InChIKey MAFISKGJEHKIFP-UHFFFAOYSA-N
SMILES C1=C(C(=CC=C1)CCC(C(OCC)=O)C(OC)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863922