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(S)-diisopropyl (4-chlorophenyl)(cyano)(4-methylphenylsulfonamido)methylphosphonate
SpectraBase Compound ID 3wnTjXb9AyO
InChI InChI=1S/C21H26ClN2O5PS/c1-15(2)28-30(25,29-16(3)4)21(14-23,18-8-10-19(22)11-9-18)24-31(26,27)20-12-6-17(5)7-13-20/h6-13,15-16,24H,1-5H3/t21-/m1/s1
InChIKey PYFZNSSKCPRRRV-OAQYLSRUSA-N
Mol Weight 484.93 g/mol
Molecular Formula C21H26ClN2O5PS
Exact Mass 484.098858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sP8BxAlJg
Name (S)-diisopropyl (4-chlorophenyl)(cyano)(4-methylphenylsulfonamido)methylphosphonate
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Formula C21H26ClN2O5PS
InChI InChI=1S/C21H26ClN2O5PS/c1-15(2)28-30(25,29-16(3)4)21(14-23,18-8-10-19(22)11-9-18)24-31(26,27)20-12-6-17(5)7-13-20/h6-13,15-16,24H,1-5H3/t21-/m1/s1
InChIKey PYFZNSSKCPRRRV-OAQYLSRUSA-N
Literature Reference DOI 10.1002/adsc.201200516
Molecular Weight 484.935 g/mol
SMILES N([C@@](P(=O)(OC(C)C)OC(C)C)(C#N)c1ccc(cc1)Cl)S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-052f-9800000000-d251f83be2c954942ad1
Source of Spectrum ASC-354-2641/SM13-11i
Synonyms Diisopropyl ((4-chlorophenyl)(cyano)(4-methylphenylsulfonamido)methyl)phosphonate
Wiley ID 1762755