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3-Methyl-2-butenoic acid, 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 FTIR

3-Methyl-2-butenoic acid, 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID Fxyr906Ioma
InChI InChI=1S/C11H10BrFO2/c1-7(2)5-11(14)15-10-4-3-8(13)6-9(10)12/h3-6H,1-2H3
InChIKey XUZKUJZPEZKEPF-UHFFFAOYSA-N
Mol Weight 273.1 g/mol
Molecular Formula C11H10BrFO2
Exact Mass 271.984821 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2FKHNIZkGzQ
Name 3-Methyl-2-butenoic acid, 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.984820723 u
Formula C11H10BrFO2
InChI InChI=1S/C11H10BrFO2/c1-7(2)5-11(14)15-10-4-3-8(13)6-9(10)12/h3-6H,1-2H3
InChIKey XUZKUJZPEZKEPF-UHFFFAOYSA-N
Molecular Weight 273.101 g/mol
SMILES C1(OC(=O)C=C(C)C)=CC=C(C=C1Br)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958126