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N-[5-cyano-3-di(propan-2-yloxy)phosphoryl-6-(4-methylphenyl)-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
SpectraBase Compound ID K5xVjM2vuxt
InChI InChI=1S/C24H31N2O6PS/c1-14(2)31-33(28,32-15(3)4)20-21(34)18(13-25)19(17-11-9-16(5)10-12-17)29-22(20)26-23(27)30-24(6,7)8/h9-12,14-15H,1-8H3,(H,26,27)
InChIKey WOYKXXOOHZHEPJ-UHFFFAOYSA-N
Mol Weight 506.55 g/mol
Molecular Formula C24H31N2O6PS
Exact Mass 506.164045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EK8s4wgloh
Name N-[5-cyano-3-di(propan-2-yloxy)phosphoryl-6-(4-methylphenyl)-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
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Formula C24H31N2O6PS
InChI InChI=1S/C24H31N2O6PS/c1-14(2)31-33(28,32-15(3)4)20-21(34)18(13-25)19(17-11-9-16(5)10-12-17)29-22(20)26-23(27)30-24(6,7)8/h9-12,14-15H,1-8H3,(H,26,27)
InChIKey WOYKXXOOHZHEPJ-UHFFFAOYSA-N
Molecular Weight 506.554 g/mol
SMILES N(C1=C(P(OC(C)C)(OC(C)C)=O)C(C(=C(c2ccc(cc2)C)O1)C#N)=S)C(OC(C)(C)C)=O
SPLASH splash10-0aor-9400110000-f8ab44e95870a4d0d408
Source of Spectrum H1-47-254-6
Synonyms N-[5-cyano-3-diisopropoxyphosphoryl-6-(p-tolyl)-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[5-cyano-3-di(propan-2-yloxy)phosphoryl-6-(4-methylphenyl)-4-sulfanylidene-pyran-2-yl]carbamate tert-Butyl N-[5-cyano-3-diisopropoxyphosphoryl-6-(p-tolyl)-4-thioxo-pyran-2-yl]carbamate
Wiley ID 816130