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(2R,3S)-Ethyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3-methylaziridin-2-carboxylate
SpectraBase Compound ID CpMQLl0741i
InChI InChI=1S/C20H18BrN3O3/c1-3-27-20(26)17-12(2)23(17)24-18(13-7-5-4-6-8-13)22-16-10-9-14(21)11-15(16)19(24)25/h4-12,17H,3H2,1-2H3/t12-,17+,23?/m0/s1
InChIKey URYGIUVVGWKKHG-PSUIGEDDSA-N
Mol Weight 428.29 g/mol
Molecular Formula C20H18BrN3O3
Exact Mass 427.053154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZ1MrcOdWKS
Name (2R,3S)-Ethyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3-methylaziridin-2-carboxylate
Alternate Name(s) Ethyl (2R,3S)-1-(6-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)-3-methyl-2-aziridinecarboxylate Ethyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3-methylaziridin-2-carboxylate
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Formula C20H18BrN3O3
InChI InChI=1S/C20H18BrN3O3/c1-3-27-20(26)17-12(2)23(17)24-18(13-7-5-4-6-8-13)22-16-10-9-14(21)11-15(16)19(24)25/h4-12,17H,3H2,1-2H3/t12-,17+,23?/m0/s1
InChIKey URYGIUVVGWKKHG-PSUIGEDDSA-N
Molecular Weight 428.286 g/mol
SMILES C=1(N(N2[C@@](C(=O)OCC)([C@@]2(C)[H])[H])C(c2c(N1)ccc(c2)Br)=O)c1ccccc1
SPLASH splash10-0uka-3897000000-fd6562b83141025aa7df
Source of Spectrum Y1-35-472-5
Wiley ID 1526714