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6-bromo-3-(3-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4(3H)-one
SpectraBase Compound ID KfgMaGzY6tf
InChI InChI=1S/C15H8BrCl2FN2O/c16-8-1-4-13-10(5-8)15(22)21(14(7-17)20-13)9-2-3-12(19)11(18)6-9/h1-6H,7H2
InChIKey VWEGZXVZFVJQKP-UHFFFAOYSA-N
Mol Weight 402.05 g/mol
Molecular Formula C15H8BrCl2FN2O
Exact Mass 399.918109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8vSycbebX1
Name 6-bromo-3-(3-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4(3H)-one
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.918109448 u
Formula C15H8BrCl2FN2O
InChI InChI=1S/C15H8BrCl2FN2O/c16-8-1-4-13-10(5-8)15(22)21(14(7-17)20-13)9-2-3-12(19)11(18)6-9/h1-6H,7H2
InChIKey VWEGZXVZFVJQKP-UHFFFAOYSA-N
Instrument Name Agilent Technologies
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202201245
Molecular Weight 402.050 g/mol
Quality 921
SMILES C1(=CC2=C(C=C1)N=C(N(C2=O)C1=CC(=C(C=C1)F)Cl)CCl)Br
SPLASH splash10-0udi-1217900000-38bc4c2b3b4f9d683385
Source of Spectrum CBD-20-SM3-5j (DOI: 10.1002/cbdv.202201245)
Wiley ID 1909863