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(2R,3R)-Ethyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3-phenylaziridin-2-carboxylate
SpectraBase Compound ID JWWmbA4zimD
InChI InChI=1S/C25H20BrN3O3/c1-2-32-25(31)22-21(16-9-5-3-6-10-16)28(22)29-23(17-11-7-4-8-12-17)27-20-14-13-18(26)15-19(20)24(29)30/h3-15,21-22H,2H2,1H3/t21-,22-,28?/m1/s1
InChIKey KTKCOKZZGNDDMA-FAVQVMMGSA-N
Mol Weight 490.36 g/mol
Molecular Formula C25H20BrN3O3
Exact Mass 489.068805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoJveNOiNF3
Name (2R,3R)-Ethyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3-phenylaziridin-2-carboxylate
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Formula C25H20BrN3O3
InChI InChI=1S/C25H20BrN3O3/c1-2-32-25(31)22-21(16-9-5-3-6-10-16)28(22)29-23(17-11-7-4-8-12-17)27-20-14-13-18(26)15-19(20)24(29)30/h3-15,21-22H,2H2,1H3/t21-,22-,28?/m1/s1
InChIKey KTKCOKZZGNDDMA-FAVQVMMGSA-N
Molecular Weight 490.357 g/mol
SMILES C=1(N(N2[C@](C(=O)OCC)([H])[C@]2(c2ccccc2)[H])C(c2c(N1)ccc(c2)Br)=O)c1ccccc1
SPLASH splash10-00b9-0927000000-5b1cc3e68bb6b814520b
Source of Spectrum Y1-35-472-5
Synonyms Ethyl (2R,3R)-1-(6-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)-3-phenyl-2-aziridinecarboxylate Ethyl 1-[6-bromo-4(3H)-oxo-2-phenylquinazolin-3-yl]-3-phenylaziridin-2-carboxylate
Wiley ID 1526713