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3-(4-Bromo-3-fluorophenyl)-N-benzoylazacyclohex-2-en-4-one
SpectraBase Compound ID 2o3Je85q8H2
InChI InChI=1S/C18H13BrFNO2/c19-15-7-6-13(10-16(15)20)14-11-21(9-8-17(14)22)18(23)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKey VXKCPGHWABKSOC-UHFFFAOYSA-N
Mol Weight 374.21 g/mol
Molecular Formula C18H13BrFNO2
Exact Mass 373.01137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGrvmWbDRtC
Name 3-(4-Bromo-3-fluorophenyl)-N-benzoylazacyclohex-2-en-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrFNO2
InChI InChI=1S/C18H13BrFNO2/c19-15-7-6-13(10-16(15)20)14-11-21(9-8-17(14)22)18(23)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKey VXKCPGHWABKSOC-UHFFFAOYSA-N
Molecular Weight 374.209 g/mol
SMILES C1(=CN(C(=O)c2ccccc2)CCC1=O)c1cc(F)c(cc1)Br
SPLASH splash10-0a6r-3903000000-634783409347082b2d3b
Source of Spectrum F-53-16719-9d
Wiley ID 804527