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6-amino-5-diisopropoxyphosphoryl-4-(methylthio)-2-phenyl-nicotinonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-amino-5-diisopropoxyphosphoryl-4-(methylthio)-2-phenyl-nicotinonitrile
SpectraBase Compound ID Khk2BDRtQuc
InChI InChI=1S/C19H24N3O3PS/c1-12(2)24-26(23,25-13(3)4)17-18(27-5)15(11-20)16(22-19(17)21)14-9-7-6-8-10-14/h6-10,12-13H,1-5H3,(H2,21,22)
InChIKey ZXLGKKINKXXUNY-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C19H24N3O3PS
Exact Mass 405.1276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeBIsxas9p5
Name 6-Amino-5-di(propan-2-yloxy)phosphoryl-4-(methylthio)-2-phenyl-3-pyridinecarbonitrile
Alternate Name(s) 6-Amino-5-di(propan-2-yloxy)phosphoryl-4-methylsulfanyl-2-phenylpyridine-3-carbonitrile 6-Amino-5-diisopropoxyphosphoryl-4-(methylthio)-2-phenyl-nicotinonitrile 6-Amino-5-diisopropoxyphosphoryl-4-methylsulfanyl-2-phenyl-pyridine-3-carbonitrile 6-Azanyl-5-di(propan-2-yloxy)phosphoryl-4-methylsulfanyl-2-phenyl-pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24N3O3PS
InChI InChI=1S/C19H24N3O3PS/c1-12(2)24-26(23,25-13(3)4)17-18(27-5)15(11-20)16(22-19(17)21)14-9-7-6-8-10-14/h6-10,12-13H,1-5H3,(H2,21,22)
InChIKey ZXLGKKINKXXUNY-UHFFFAOYSA-N
Molecular Weight 405.453 g/mol
SMILES Nc1c(P(OC(C)C)(OC(C)C)=O)c(c(c(-c2ccccc2)n1)C#N)SC
SPLASH splash10-00di-3109100000-74e95a9db7d4389d340a
Source of Spectrum H1-48-726-6
Wiley ID 816336