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2-Amino-5-cyano-3-(diethoxy-phosphoryl)-4-methylsulfanyl-6-p-tolyl-pyranylium tetrafluoro borate
SpectraBase Compound ID 3AwjYyD36z1
InChI InChI=1S/C18H22N2O4PS.BF4/c1-5-22-25(21,23-6-2)16-17(26-4)14(11-19)15(24-18(16)20)13-9-7-12(3)8-10-13;2-1(3,4)5/h7-10H,5-6,20H2,1-4H3;/q+1;-1
InChIKey FGTUUSMDDPVODM-UHFFFAOYSA-N
Mol Weight 480.22 g/mol
Molecular Formula C18H22BF4N2O4PS
Exact Mass 480.106708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2exdbEoSRM
Name 2-Amino-5-cyano-3-(diethoxy-phosphoryl)-4-methylsulfanyl-6-p-tolyl-pyranylium tetrafluoro borate
Alternate Name(s) 2-Amino-5-cyano-6-(p-tolyl)-4-methylsulfanyl-4H-pyran-3-ylphosphonic acid diethyl ester tetrafluoroborate Diethyl 2-amino-5-cyano-6-(4-methylphenyl)-4-(methylsulfanyl)-3-pyryliumylphosphonate tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22BF4N2O4PS
InChI InChI=1S/C18H22N2O4PS.BF4/c1-5-22-25(21,23-6-2)16-17(26-4)14(11-19)15(24-18(16)20)13-9-7-12(3)8-10-13;2-1(3,4)5/h7-10H,5-6,20H2,1-4H3;/q+1;-1
InChIKey FGTUUSMDDPVODM-UHFFFAOYSA-N
Molecular Weight 480.221 g/mol
SMILES [B-](F)(F)(F)F.Nc1[o+]c(-c2ccc(C)cc2)c(c(c1P(=O)(OCC)OCC)SC)C#N
SPLASH splash10-014i-9507000000-2bb25c803ef70859cd7c
Source of Spectrum H1-48-720-3
Wiley ID 816344