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3-[(2R,3S)-2-(dichloromethyl)-3-phenyl-1-aziridinyl]-2-(3,3-dimethylbutan-2-yl)-4-quinazolinone
SpectraBase Compound ID 97CffwHzDnY
InChI InChI=1S/C23H25Cl2N3O/c1-14(23(2,3)4)21-26-17-13-9-8-12-16(17)22(29)28(21)27-18(19(27)20(24)25)15-10-6-5-7-11-15/h5-14,18-20H,1-4H3/t14?,18-,19+,27?/m0/s1
InChIKey XCUDDXPSGVNPAP-AQPUJGIXSA-N
Mol Weight 430.38 g/mol
Molecular Formula C23H25Cl2N3O
Exact Mass 429.137468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WqWTdG5rbt
Name 3-[(2R,3S)-2-(dichloromethyl)-3-phenyl-1-aziridinyl]-2-(3,3-dimethylbutan-2-yl)-4-quinazolinone
Alternate Name(s) 3-[(2R,3S)-2-(dichloromethyl)-3-phenyl-aziridin-1-yl]-2-(1,2,2-trimethylpropyl)quinazolin-4-one 3-[(2R,3S)-2-(dichloromethyl)-3-phenyl-ethylenimin-1-yl]-2-(1,2,2-trimethylpropyl)quinazolin-4-one 3-[(2R,3S)-2-(dichloromethyl)-3-phenylaziridin-1-yl]-2-(3,3-dimethylbutan-2-yl)quinazolin-4-one 3-[(2R,3S)-2-[bis(chloranyl)methyl]-3-phenyl-aziridin-1-yl]-2-(3,3-dimethylbutan-2-yl)quinazolin-4-one
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Formula C23H25Cl2N3O
InChI InChI=1S/C23H25Cl2N3O/c1-14(23(2,3)4)21-26-17-13-9-8-12-16(17)22(29)28(21)27-18(19(27)20(24)25)15-10-6-5-7-11-15/h5-14,18-20H,1-4H3/t14?,18-,19+,27?/m0/s1
InChIKey XCUDDXPSGVNPAP-AQPUJGIXSA-N
Molecular Weight 430.379 g/mol
SMILES C=1(N(N2[C@@](C(Cl)Cl)([C@@]2(c2ccccc2)[H])[H])C(c2c(N1)cccc2)=O)C(C(C)(C)C)C
SPLASH splash10-0002-0409000000-a90a8463165cbdb32c99
Source of Spectrum K-2002-827-41
Wiley ID 1581374