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[(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenyl-aziridin-2-yl]methyl ethanoate
SpectraBase Compound ID JInOJU55CS
InChI InChI=1S/C18H19NO4S/c1-13-8-10-16(11-9-13)24(21,22)19-17(12-23-14(2)20)18(19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-,19?/m1/s1
InChIKey OPMZBNFESXGOID-PWCSWUJKSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bIoHpZMoK
Name [(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenyl-aziridin-2-yl]methyl ethanoate
Alternate Name(s) [(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]methyl acetate [(2S,3R)-3-phenyl-1-(p-tolylsulfonyl)aziridin-2-yl]methyl acetate Acetic acid [(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenyl-2-aziridinyl]methyl ester
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Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-13-8-10-16(11-9-13)24(21,22)19-17(12-23-14(2)20)18(19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-,19?/m1/s1
InChIKey OPMZBNFESXGOID-PWCSWUJKSA-N
Molecular Weight 345.413 g/mol
SMILES [C@]1(N([C@@]1(c1ccccc1)[H])S(=O)(=O)c1ccc(cc1)C)(COC(=O)C)[H]
SPLASH splash10-0007-3900000000-796fc9fc708d4986d679
Source of Spectrum KC-0-1233-30
Wiley ID 824826