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Dimethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester

View entire compound with spectra: 1 FTIR

Dimethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester
SpectraBase Compound ID LXAJAoS8ckx
InChI InChI=1S/C13H14ClFO4/c1-4-18-11(16)13(2,3)12(17)19-10-8(14)6-5-7-9(10)15/h5-7H,4H2,1-3H3
InChIKey BCAPCYWCGIFVJK-UHFFFAOYSA-N
Mol Weight 288.7 g/mol
Molecular Formula C13H14ClFO4
Exact Mass 288.056465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IFcg7Y9vI7U
Name Dimethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.056464790 u
Formula C13H14ClFO4
InChI InChI=1S/C13H14ClFO4/c1-4-18-11(16)13(2,3)12(17)19-10-8(14)6-5-7-9(10)15/h5-7H,4H2,1-3H3
InChIKey BCAPCYWCGIFVJK-UHFFFAOYSA-N
Molecular Weight 288.702 g/mol
SMILES C1=CC(Cl)=C(C(=C1)F)OC(=O)C(C)(C)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911457