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3-[2-(chloromethyl)-1-aziridinyl]-2-(trifluoromethyl)-4-quinazolinone
SpectraBase Compound ID DD7dNPknnjr
InChI InChI=1S/C12H9ClF3N3O/c13-5-7-6-18(7)19-10(20)8-3-1-2-4-9(8)17-11(19)12(14,15)16/h1-4,7H,5-6H2
InChIKey MHKXMXOQUNZNLN-UHFFFAOYSA-N
Mol Weight 303.67 g/mol
Molecular Formula C12H9ClF3N3O
Exact Mass 303.038624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgIlyyRTP1q
Name 3-[2-(chloromethyl)-1-aziridinyl]-2-(trifluoromethyl)-4-quinazolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClF3N3O
InChI InChI=1S/C12H9ClF3N3O/c13-5-7-6-18(7)19-10(20)8-3-1-2-4-9(8)17-11(19)12(14,15)16/h1-4,7H,5-6H2
InChIKey MHKXMXOQUNZNLN-UHFFFAOYSA-N
Molecular Weight 303.672 g/mol
SMILES C1(N(C1)N1C(=Nc2c(C1=O)cccc2)C(F)(F)F)CCl
SPLASH splash10-0w29-4593000000-7551c2d4b352285b157f
Source of Spectrum KC-0-163-16
Synonyms 3-[2-(chloromethyl)aziridin-1-yl]-2-(trifluoromethyl)quinazolin-4-one 3-[2-(chloromethyl)ethylenimin-1-yl]-2-(trifluoromethyl)quinazolin-4-one
Wiley ID 785006