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(S)-Diisopropyl cyano(4-methylphenylsulfonamido)(4-(trifluoromethyl)phenyl)methylphosphonate
SpectraBase Compound ID w4w1RuprU8
InChI InChI=1S/C22H26F3N2O5PS/c1-15(2)31-33(28,32-16(3)4)21(14-26,18-8-10-19(11-9-18)22(23,24)25)27-34(29,30)20-12-6-17(5)7-13-20/h6-13,15-16,27H,1-5H3/t21-/m1/s1
InChIKey XTHSNIYTCSIWRH-OAQYLSRUSA-N
Mol Weight 518.49 g/mol
Molecular Formula C22H26F3N2O5PS
Exact Mass 518.125215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbzNxBi7iRO
Name (S)-Diisopropyl cyano(4-methylphenylsulfonamido)(4-(trifluoromethyl)phenyl)methylphosphonate
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Formula C22H26F3N2O5PS
InChI InChI=1S/C22H26F3N2O5PS/c1-15(2)31-33(28,32-16(3)4)21(14-26,18-8-10-19(11-9-18)22(23,24)25)27-34(29,30)20-12-6-17(5)7-13-20/h6-13,15-16,27H,1-5H3/t21-/m1/s1
InChIKey XTHSNIYTCSIWRH-OAQYLSRUSA-N
Literature Reference DOI 10.1002/adsc.201200516
Molecular Weight 518.488 g/mol
SMILES N(S(=O)(c1ccc(cc1)C)=O)[C@@](C#N)(c1ccc(cc1)C(F)(F)F)P(=O)(OC(C)C)OC(C)C
SPLASH splash10-052f-9801000000-694460b270d2948b6082
Source of Spectrum ASC-354-2641/SM13-11g
Synonyms Diisopropyl (cyano(4-methylphenylsulfonamido)(4-(trifluoromethyl)phenyl)methyl)phosphonate N-[(S)-cyano-di(propan-2-yloxy)phosphoryl-[4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide N-[(S)-cyano-di(propan-2-yloxy)phosphoryl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-benzenesulfonamide
Wiley ID 1762753