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3-Prop-2-ynyl-2-(trifluoromethyl)-4-quinazolinone
SpectraBase Compound ID 7WEROBvKXjI
InChI InChI=1S/C12H7F3N2O/c1-2-7-17-10(18)8-5-3-4-6-9(8)16-11(17)12(13,14)15/h1,3-6H,7H2
InChIKey CRQSMCFIOYUZIX-UHFFFAOYSA-N
Mol Weight 252.2 g/mol
Molecular Formula C12H7F3N2O
Exact Mass 252.051047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fnM9U81LUr
Name 3-Prop-2-ynyl-2-(trifluoromethyl)-4-quinazolinone
Alternate Name(s) 3-Prop-2-ynyl-2-trifluoromethyl-quinazolin-4-(3H)-one 3-Prop-2-ynyl-2-(trifluoromethyl)quinazolin-4-one 3-Propargyl-2-(trifluoromethyl)quinazolin-4-one 3-(prop-2-yn-1-yl)-2-(trifluoromethyl)quinazolin-4(3H)-one
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Formula C12H7F3N2O
InChI InChI=1S/C12H7F3N2O/c1-2-7-17-10(18)8-5-3-4-6-9(8)16-11(17)12(13,14)15/h1,3-6H,7H2
InChIKey CRQSMCFIOYUZIX-UHFFFAOYSA-N
Molecular Weight 252.196 g/mol
SMILES C=1(N(C(=O)c2c(N1)cccc2)CC#C)C(F)(F)F
SPLASH splash10-0udi-9750000000-ef2fe02e3666c5129542
Source of Spectrum D8-333-264-2
Wiley ID 1516917