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N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
SpectraBase Compound ID AiDPKOTAfy0
InChI InChI=1S/C19H20ClN2O6PS/c1-19(2,3)28-18(23)22-17-15(29(24,25-4)26-5)16(30)13(10-21)14(27-17)11-6-8-12(20)9-7-11/h6-9H,1-5H3,(H,22,23)
InChIKey WKFZPCOTONSTTQ-UHFFFAOYSA-N
Mol Weight 470.86 g/mol
Molecular Formula C19H20ClN2O6PS
Exact Mass 470.046822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31deaPF2bBk
Name N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester
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Formula C19H20ClN2O6PS
InChI InChI=1S/C19H20ClN2O6PS/c1-19(2,3)28-18(23)22-17-15(29(24,25-4)26-5)16(30)13(10-21)14(27-17)11-6-8-12(20)9-7-11/h6-9H,1-5H3,(H,22,23)
InChIKey WKFZPCOTONSTTQ-UHFFFAOYSA-N
Molecular Weight 470.864 g/mol
SMILES N(C1=C(C(C(=C(c2ccc(cc2)Cl)O1)C#N)=S)P(=O)(OC)OC)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9401100000-9af35180d2240aae332d
Source of Spectrum H1-47-250-6
Synonyms N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidene-pyran-2-yl]carbamate tert-Butyl N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamate
Wiley ID 816135