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3-[(2R,3S)-2-(chloromethyl)-3-phenyl-1-aziridinyl]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-quinazolinone
SpectraBase Compound ID 6YZ0PcFsu0m
InChI InChI=1S/C22H24ClN3O2/c1-22(2,3)19(27)20-24-16-12-8-7-11-15(16)21(28)26(20)25-17(13-23)18(25)14-9-5-4-6-10-14/h4-12,17-19,27H,13H2,1-3H3/t17-,18-,19+,25?/m0/s1
InChIKey APRAIDCHHKFJMJ-GANLGLDZSA-N
Mol Weight 397.91 g/mol
Molecular Formula C22H24ClN3O2
Exact Mass 397.155705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZQZQS4g3kR
Name 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-1-aziridinyl]-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-quinazolinone
Alternate Name(s) 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]quinazolin-4-one 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-aziridin-1-yl]-2-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]quinazolin-4-one 3-[(2R,3S)-2-(chloromethyl)-3-phenyl-ethylenimin-1-yl]-2-[(1S)-1-hydroxy-2,2-dimethyl-propyl]quinazolin-4-one
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Formula C22H24ClN3O2
InChI InChI=1S/C22H24ClN3O2/c1-22(2,3)19(27)20-24-16-12-8-7-11-15(16)21(28)26(20)25-17(13-23)18(25)14-9-5-4-6-10-14/h4-12,17-19,27H,13H2,1-3H3/t17-,18-,19+,25?/m0/s1
InChIKey APRAIDCHHKFJMJ-GANLGLDZSA-N
Molecular Weight 397.906 g/mol
SMILES O[C@](C=1N(N2[C@@](CCl)([C@@]2(c2ccccc2)[H])[H])C(c2c(cccc2)N1)=O)(C(C)(C)C)[H]
SPLASH splash10-0gc1-1902000000-999ff02df6c53eae3fdd
Source of Spectrum K-2002-826-28
Wiley ID 1581379