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(S)-Diisopropyl cyano(4-methylphenylsulfonamido)(phenyl)methylphosphonate
SpectraBase Compound ID KRMB60gwZqm
InChI InChI=1S/C21H27N2O5PS/c1-16(2)27-29(24,28-17(3)4)21(15-22,19-9-7-6-8-10-19)23-30(25,26)20-13-11-18(5)12-14-20/h6-14,16-17,23H,1-5H3/t21-/m1/s1
InChIKey GTEHXVTZGDMBND-OAQYLSRUSA-N
Mol Weight 450.49 g/mol
Molecular Formula C21H27N2O5PS
Exact Mass 450.13783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pGYy3fTUWk
Name (S)-Diisopropyl cyano(4-methylphenylsulfonamido)(phenyl)methylphosphonate
Alternate Name(s) Diisopropyl (cyano(4-methylphenylsulfonamido)(phenyl)methyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N2O5PS
InChI InChI=1S/C21H27N2O5PS/c1-16(2)27-29(24,28-17(3)4)21(15-22,19-9-7-6-8-10-19)23-30(25,26)20-13-11-18(5)12-14-20/h6-14,16-17,23H,1-5H3/t21-/m1/s1
InChIKey GTEHXVTZGDMBND-OAQYLSRUSA-N
Literature Reference DOI 10.1002/adsc.201200516
Molecular Weight 450.490 g/mol
SMILES N([C@@](P(=O)(OC(C)C)OC(C)C)(C#N)c1ccccc1)S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-052f-9710000000-3467bcc0916d0e201a8a
Source of Spectrum ASC-354-2641/SM12-11d
Wiley ID 1762750