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Diethylmalonic acid, monochloride, 4-fluoro-2-methoxyphenyl ester

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Diethylmalonic acid, monochloride, 4-fluoro-2-methoxyphenyl ester
SpectraBase Compound ID 46wHZz6n2Ro
InChI InChI=1S/C14H16ClFO4/c1-4-14(5-2,12(15)17)13(18)20-10-7-6-9(16)8-11(10)19-3/h6-8H,4-5H2,1-3H3
InChIKey XFBDUROPRRDUFD-UHFFFAOYSA-N
Mol Weight 302.73 g/mol
Molecular Formula C14H16ClFO4
Exact Mass 302.072115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AA6FVLBF93Z
Name Diethylmalonic acid, monochloride, 4-fluoro-2-methoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.072114854 u
Formula C14H16ClFO4
InChI InChI=1S/C14H16ClFO4/c1-4-14(5-2,12(15)17)13(18)20-10-7-6-9(16)8-11(10)19-3/h6-8H,4-5H2,1-3H3
InChIKey XFBDUROPRRDUFD-UHFFFAOYSA-N
Molecular Weight 302.729 g/mol
SMILES C(C(C(Cl)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837155