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N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
SpectraBase Compound ID 1U1XcJyMyg1
InChI InChI=1S/C25H25N2O5PS/c1-5-30-33(29,18-14-10-7-11-15-18)21-22(34)19(16-26)20(17-12-8-6-9-13-17)31-23(21)27-24(28)32-25(2,3)4/h6-15H,5H2,1-4H3,(H,27,28)
InChIKey SUCMUBZQCDNSGR-UHFFFAOYSA-N
Mol Weight 496.52 g/mol
Molecular Formula C25H25N2O5PS
Exact Mass 496.12218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0fANSXZCnc
Name N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
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Formula C25H25N2O5PS
InChI InChI=1S/C25H25N2O5PS/c1-5-30-33(29,18-14-10-7-11-15-18)21-22(34)19(16-26)20(17-12-8-6-9-13-17)31-23(21)27-24(28)32-25(2,3)4/h6-15H,5H2,1-4H3,(H,27,28)
InChIKey SUCMUBZQCDNSGR-UHFFFAOYSA-N
Molecular Weight 496.518 g/mol
SMILES N(C1=C(C(C(=C(c2ccccc2)O1)C#N)=S)P(=O)(c1ccccc1)OCC)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9000000000-eeb18f539bd32597637d
Source of Spectrum H1-47-255-7
Synonyms N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidene-pyran-2-yl]carbamate tert-Butyl N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-thioxo-pyran-2-yl]carbamate
Wiley ID 816129