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N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-2-pyranyl)carbamic acid tert-butyl ester
SpectraBase Compound ID 6UIUMXMjodT
InChI InChI=1S/C21H25N2O6PS/c1-6-26-30(25,27-7-2)17-18(31)15(13-22)16(14-11-9-8-10-12-14)28-19(17)23-20(24)29-21(3,4)5/h8-12H,6-7H2,1-5H3,(H,23,24)
InChIKey PTAHXVFVSVLHJY-UHFFFAOYSA-N
Mol Weight 464.47 g/mol
Molecular Formula C21H25N2O6PS
Exact Mass 464.117095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnSUFQRK4Q2
Name N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-2-pyranyl)carbamic acid tert-butyl ester
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Formula C21H25N2O6PS
InChI InChI=1S/C21H25N2O6PS/c1-6-26-30(25,27-7-2)17-18(31)15(13-22)16(14-11-9-8-10-12-14)28-19(17)23-20(24)29-21(3,4)5/h8-12H,6-7H2,1-5H3,(H,23,24)
InChIKey PTAHXVFVSVLHJY-UHFFFAOYSA-N
Molecular Weight 464.473 g/mol
SMILES N(C1=C(C(C(=C(c2ccccc2)O1)C#N)=S)P(=O)(OCC)OCC)C(OC(C)(C)C)=O
SPLASH splash10-0bt9-9303100000-5294f9b5f6088c70a50d
Source of Spectrum H1-47-252-6
Synonyms N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-thioxo-pyran-2-yl)carbamic acid tert-butyl ester tert-Butyl N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-pyran-2-yl)carbamate tert-Butyl N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-thioxo-pyran-2-yl)carbamate
Wiley ID 816133