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(S)-Methyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]aziridin-2-carboxylate
SpectraBase Compound ID I7aN6x0jXwx
InChI InChI=1S/C18H14BrN3O3/c1-25-18(24)15-10-21(15)22-16(11-5-3-2-4-6-11)20-14-8-7-12(19)9-13(14)17(22)23/h2-9,15H,10H2,1H3/t15-,21?/m0/s1
InChIKey KROGXGVJBGFDMZ-ZDGMYTEDSA-N
Mol Weight 400.23 g/mol
Molecular Formula C18H14BrN3O3
Exact Mass 399.021854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28uzhveX1E
Name (S)-Methyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]aziridin-2-carboxylate
Alternate Name(s) Methyl (2S)-1-(6-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)-2-aziridinecarboxylate Methyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]aziridin-2-carboxylate
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Formula C18H14BrN3O3
InChI InChI=1S/C18H14BrN3O3/c1-25-18(24)15-10-21(15)22-16(11-5-3-2-4-6-11)20-14-8-7-12(19)9-13(14)17(22)23/h2-9,15H,10H2,1H3/t15-,21?/m0/s1
InChIKey KROGXGVJBGFDMZ-ZDGMYTEDSA-N
Molecular Weight 400.232 g/mol
SMILES [C@]1(N(N2C(=Nc3c(C2=O)cc(cc3)Br)c2ccccc2)C1)(C(=O)OC)[H]
SPLASH splash10-0uka-2977000000-85a78f325be162bedd45
Source of Spectrum Y1-35-472-5
Wiley ID 1526715