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2-[1-(4-Chlorophenyl)allyl]malonic acid dimethyl ester

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

2-[1-(4-Chlorophenyl)allyl]malonic acid dimethyl ester
SpectraBase Compound ID BtOKySIP0z9
InChI InChI=1S/C14H15ClO4/c1-4-11(9-5-7-10(15)8-6-9)12(13(16)18-2)14(17)19-3/h4-8,11-12H,1H2,2-3H3
InChIKey GOSJTIFPPZEISP-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 DG2D2RFUSRw
Name 2-[1-(4-Chlorophenyl)allyl]malonic acid dimethyl 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/c1-4-11(9-5-7-10(15)8-6-9)12(13(16)18-2)14(17)19-3/h4-8,11-12H,1H2,2-3H3
InChIKey GOSJTIFPPZEISP-UHFFFAOYSA-N
SMILES C(C(=O)OC)(C(=O)OC)C(C=1C=CC(=CC1)Cl)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955894