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Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester

View entire compound with spectra: 1 FTIR

Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester
SpectraBase Compound ID A2HQLSz6BhV
InChI InChI=1S/C14H16BrFO4/c1-4-7-19-12(17)14(2,3)13(18)20-11-6-5-9(16)8-10(11)15/h5-6,8H,4,7H2,1-3H3
InChIKey WCEYACRHXILLMS-UHFFFAOYSA-N
Mol Weight 347.18 g/mol
Molecular Formula C14H16BrFO4
Exact Mass 346.0216 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D4m6EJPu98v
Name Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.021600154 u
Formula C14H16BrFO4
InChI InChI=1S/C14H16BrFO4/c1-4-7-19-12(17)14(2,3)13(18)20-11-6-5-9(16)8-10(11)15/h5-6,8H,4,7H2,1-3H3
InChIKey WCEYACRHXILLMS-UHFFFAOYSA-N
Molecular Weight 347.180 g/mol
SMILES CCCOC(=O)C(C(OC1=CC=C(C=C1Br)F)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944213