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3-[2-(Methoxycarbonyl)aziridin-1-yl]-2-(trifluoromethyl)quinazolin-4(3H)-one
SpectraBase Compound ID DBG7EL87OnY
InChI InChI=1S/C13H10F3N3O3/c1-22-11(21)9-6-18(9)19-10(20)7-4-2-3-5-8(7)17-12(19)13(14,15)16/h2-5,9H,6H2,1H3
InChIKey AOJBXHXVCVBWSI-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C13H10F3N3O3
Exact Mass 313.067426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HQadY3P0hF
Name 3-[2-(Methoxycarbonyl)aziridin-1-yl]-2-(trifluoromethyl)quinazolin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F3N3O3
InChI InChI=1S/C13H10F3N3O3/c1-22-11(21)9-6-18(9)19-10(20)7-4-2-3-5-8(7)17-12(19)13(14,15)16/h2-5,9H,6H2,1H3
InChIKey AOJBXHXVCVBWSI-UHFFFAOYSA-N
Molecular Weight 313.236 g/mol
SMILES C1(N(N2C(=Nc3c(C2=O)cccc3)C(F)(F)F)C1)C(=O)OC
SPLASH splash10-0ik9-6954000000-3aeba5db395c8d0dc0ad
Source of Spectrum KC-0-775-23
Synonyms Methyl 1-(4-oxo-2-(trifluoromethyl)-3(4H)-quinazolinyl)-2-aziridinecarboxylate 1-[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester Methyl 1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Methyl 1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate
Wiley ID 828165