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(S)-Methyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3,3-dimethylaziridin-2-carboxylate
SpectraBase Compound ID 5F3ydo4AHnv
InChI InChI=1S/C20H18BrN3O3/c1-20(2)16(19(26)27-3)24(20)23-17(12-7-5-4-6-8-12)22-15-10-9-13(21)11-14(15)18(23)25/h4-11,16H,1-3H3/t16-,24?/m1/s1
InChIKey AVEXFVWFXTYLNV-YAOANENCSA-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 2lq6rp7aLkw
Name (S)-Methyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3,3-dimethylaziridin-2-carboxylate
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Formula C20H18BrN3O3
InChI InChI=1S/C20H18BrN3O3/c1-20(2)16(19(26)27-3)24(20)23-17(12-7-5-4-6-8-12)22-15-10-9-13(21)11-14(15)18(23)25/h4-11,16H,1-3H3/t16-,24?/m1/s1
InChIKey AVEXFVWFXTYLNV-YAOANENCSA-N
Molecular Weight 428.286 g/mol
SMILES C=1(N(N2[C@@](C(=O)OC)([H])C2(C)C)C(c2c(N1)ccc(c2)Br)=O)c1ccccc1
SPLASH splash10-0udj-3698100000-162232dfed475e745468
Source of Spectrum Y1-35-472-5
Synonyms Methyl (2S)-1-(6-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)-3,3-dimethyl-2-aziridinecarboxylate Methyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3,3-dimethylaziridin-2-carboxylate
Wiley ID 1526707