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(1R,2S,sS)-Dimethyl .alpha.-(N-benzyl-2-aziridinyl)-.alpha.(N-tolylsulfonylamido)methanephosphonate
SpectraBase Compound ID LOM0yhzVf0j
InChI InChI=1S/C19H25N2O4PS/c1-15-9-11-17(12-10-15)27(23)20-19(26(22,24-2)25-3)18-14-21(18)13-16-7-5-4-6-8-16/h4-12,18-20H,13-14H2,1-3H3/t18-,19-,21?,27?/m0/s1
InChIKey RYKNIEYBCKGDIO-DPJPLNEUSA-N
Mol Weight 408.45 g/mol
Molecular Formula C19H25N2O4PS
Exact Mass 408.127265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NfDGMJSkfS
Name (1R,2S,sS)-Dimethyl .alpha.-(N-benzyl-2-aziridinyl)-.alpha.(N-tolylsulfonylamido)methanephosphonate
Alternate Name(s) (1R,2S,Ss)-Dimethyl 1-Benzylaziridin-2-ylmethyl-N-p-tolylsulfiniminophosphonate N-[(S)-dimethoxyphosphoryl-[(2S)-1-(phenylmethyl)-2-aziridinyl]methyl]-4-methylbenzenesulfinamide N-[(S)-[(2S)-1-benzylaziridin-2-yl]-dimethoxyphosphorylmethyl]-4-methylbenzenesulfinamide N-[(S)-[(2S)-1-benzylaziridin-2-yl]-dimethoxyphosphoryl-methyl]-4-methyl-benzenesulfinamide N-[(S)-dimethoxyphosphoryl-[(2S)-1-(phenylmethyl)aziridin-2-yl]methyl]-4-methyl-benzenesulfinamide
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Formula C19H25N2O4PS
InChI InChI=1S/C19H25N2O4PS/c1-15-9-11-17(12-10-15)27(23)20-19(26(22,24-2)25-3)18-14-21(18)13-16-7-5-4-6-8-16/h4-12,18-20H,13-14H2,1-3H3/t18-,19-,21?,27?/m0/s1
InChIKey RYKNIEYBCKGDIO-DPJPLNEUSA-N
Molecular Weight 408.453 g/mol
SMILES N([C@]([C@]1(N(Cc2ccccc2)C1)[H])(P(=O)(OC)OC)[H])[S@](c1ccc(cc1)C)=O
SPLASH splash10-00kf-9207000000-6ade413c51979065f57e
Source of Spectrum J-67-2906-6
Wiley ID 1569670