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2-Amino-5-cyano-3-(ethoxy-phenyl-phosphinoyl)-4-methylsulfanyl-6-phenyl-pyranylium tetrafluoroborate
SpectraBase Compound ID 9GFnKHrC3aP
InChI InChI=1S/C21H20N2O3PS.BF4/c1-3-25-27(24,16-12-8-5-9-13-16)19-20(28-2)17(14-22)18(26-21(19)23)15-10-6-4-7-11-15;2-1(3,4)5/h4-13H,3,23H2,1-2H3;/q+1;-1
InChIKey WKVBPUVYPRBHAM-UHFFFAOYSA-N
Mol Weight 498.24 g/mol
Molecular Formula C21H20BF4N2O3PS
Exact Mass 498.096144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDxKOKvxYYV
Name 2-Amino-5-cyano-3-(ethoxy-phenyl-phosphinoyl)-4-methylsulfanyl-6-phenyl-pyranylium tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20BF4N2O3PS
InChI InChI=1S/C21H20N2O3PS.BF4/c1-3-25-27(24,16-12-8-5-9-13-16)19-20(28-2)17(14-22)18(26-21(19)23)15-10-6-4-7-11-15;2-1(3,4)5/h4-13H,3,23H2,1-2H3;/q+1;-1
InChIKey WKVBPUVYPRBHAM-UHFFFAOYSA-N
Molecular Weight 498.239 g/mol
SMILES [B-](F)(F)(F)F.Nc1[o+]c(c(c(c1P(=O)(c1ccccc1)OCC)SC)C#N)-c1ccccc1
SPLASH splash10-06vj-9303000000-933d9fc5e1f36e8a423c
Source of Spectrum H1-48-723-4
Synonyms 2-Amino-5-cyano-6-phenyl-4-methylsulfanyl-4H-pyran-3-ylphenylphosphinic acid ethyl ester tetrafluoroborate Ethyl 2-amino-5-cyano-4-(methylsulfanyl)-6-phenyl-3-pyryliumyl(phenyl)phosphinate tetrafluoroborate
Wiley ID 816340