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ethyl 2-(5-bromo-2-fluoro-3-pivaloylbenzyl)acrylate
SpectraBase Compound ID 2XzsxpzscIs
InChI InChI=1S/C17H20BrFO3/c1-6-22-16(21)10(2)7-11-8-12(18)9-13(14(11)19)15(20)17(3,4)5/h8-9H,2,6-7H2,1,3-5H3
InChIKey IIGCAAHRGFPOFY-UHFFFAOYSA-N
Mol Weight 371.25 g/mol
Molecular Formula C17H20BrFO3
Exact Mass 370.057986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHcdqMlCU3V
Name ethyl 2-(5-bromo-2-fluoro-3-pivaloylbenzyl)acrylate
Appearance Colorless oil
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Formula C17H20BrFO3
InChI InChI=1S/C17H20BrFO3/c1-6-22-16(21)10(2)7-11-8-12(18)9-13(14(11)19)15(20)17(3,4)5/h8-9H,2,6-7H2,1,3-5H3
InChIKey IIGCAAHRGFPOFY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812742
Molecular Weight 371.246 g/mol
Reported Formula C17H20(79)BrFO3
SMILES c1(c(c(cc(c1)Br)C(=O)C(C)(C)C)F)CC(=C)C(=O)OCC
SPLASH splash10-01ox-9004000000-e9327f8a213f8d211468
Source of Spectrum ACI-58-SM49-4a
Wiley ID 1840677