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2-Acetoxy-1-(4-oxo-2-trifluoromethyl-3,4-dihydroquinazolin-3-yl)cyclohexano[b]aziridin
SpectraBase Compound ID HjDF5qrsu0d
InChI InChI=1S/C17H16F3N3O3/c1-9(24)26-13-8-4-7-12-14(13)22(12)23-15(25)10-5-2-3-6-11(10)21-16(23)17(18,19)20/h2-3,5-6,12-14H,4,7-8H2,1H3
InChIKey PIXCPCYCGNSZJP-UHFFFAOYSA-N
Mol Weight 367.33 g/mol
Molecular Formula C17H16F3N3O3
Exact Mass 367.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChXIo24gmmu
Name 2-Acetoxy-1-(4-oxo-2-trifluoromethyl-3,4-dihydroquinazolin-3-yl)cyclohexano[b]aziridin
Alternate Name(s) 7-(4-oxo-2-(trifluoromethyl)-3(4H)-quinazolinyl)-7-azabicyclo[4.1.0]hept-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3N3O3
InChI InChI=1S/C17H16F3N3O3/c1-9(24)26-13-8-4-7-12-14(13)22(12)23-15(25)10-5-2-3-6-11(10)21-16(23)17(18,19)20/h2-3,5-6,12-14H,4,7-8H2,1H3
InChIKey PIXCPCYCGNSZJP-UHFFFAOYSA-N
Molecular Weight 367.328 g/mol
SMILES C=1(N(N2C3C(OC(=O)C)CCCC23)C(c2c(N1)cccc2)=O)C(F)(F)F
SPLASH splash10-014i-0493000000-b3d16b62ec10a83c6031
Source of Spectrum KC-0-163-22
Wiley ID 785004