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(1R,2S,sS)-Bis(diethylamino) .alpha.-(N-benzyl-2-aziridinyl)-.alpha.(N-tolylsulfonylamido)methanephosphoramide
SpectraBase Compound ID LP9Cg8RB8h2
InChI InChI=1S/C25H39N4O2PS/c1-6-28(7-2)32(30,29(8-3)9-4)25(26-33(31)23-17-15-21(5)16-18-23)24-20-27(24)19-22-13-11-10-12-14-22/h10-18,24-26H,6-9,19-20H2,1-5H3/t24-,25-,27?,33?/m0/s1
InChIKey WXYXJNKKVRPZKS-NIIOMRLOSA-N
Mol Weight 490.6 g/mol
Molecular Formula C25H39N4O2PS
Exact Mass 490.253135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPfllatsvzA
Name (1R,2S,sS)-Bis(diethylamino) .alpha.-(N-benzyl-2-aziridinyl)-.alpha.(N-tolylsulfonylamido)methanephosphoramide
Alternate Name(s) (1S,2S,sS)-Bis(diethylamino) .alpha.-(N-benzyl-2-aziridinyl)-.alpha.(N-tolylsulfonylamido)methanephosphoramide N-[(S)-bis(diethylamino)phosphoryl-[(2S)-1-(phenylmethyl)-2-aziridinyl]methyl]-4-methylbenzenesulfinamide N-[(S)-[(2S)-1-benzylaziridin-2-yl]-[bis(diethylamino)phosphoryl]methyl]-4-methylbenzenesulfinamide N-[(S)-[(2S)-1-benzylaziridin-2-yl]-[bis(diethylamino)phosphoryl]methyl]-4-methyl-benzenesulfinamide N-[(S)-bis(diethylamino)phosphoryl-[(2S)-1-(phenylmethyl)aziridin-2-yl]methyl]-4-methyl-benzenesulfinamide
Comments Less than 3 mono-isotopic peaks
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Formula C25H39N4O2PS
InChI InChI=1S/C25H39N4O2PS/c1-6-28(7-2)32(30,29(8-3)9-4)25(26-33(31)23-17-15-21(5)16-18-23)24-20-27(24)19-22-13-11-10-12-14-22/h10-18,24-26H,6-9,19-20H2,1-5H3/t24-,25-,27?,33?/m0/s1
InChIKey WXYXJNKKVRPZKS-NIIOMRLOSA-N
Molecular Weight 490.647 g/mol
SMILES N([C@]([C@]1(N(Cc2ccccc2)C1)[H])(P(N(CC)CC)(N(CC)CC)=O)[H])[S@](c1ccc(cc1)C)=O
SPLASH splash10-0006-9000000000-26f0b2eb0ed280f6041a
Source of Spectrum J-67-2905-6
Wiley ID 1569725