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5-(4-CHLOROPHENYL)-4-CYANO-(3H)-1,2-DITHIOL-3-(ALPHA-DIETHYLPHOSPHORYLMETHYLENE)-THIOETHYL
SpectraBase Compound ID EXBuSfweJNe
InChI InChI=1S/C17H19ClNO3PS3/c1-4-21-23(20,22-5-2)17(24-6-3)16-14(11-19)15(25-26-16)12-7-9-13(18)10-8-12/h7-10H,4-6H2,1-3H3/b17-16+
InChIKey YOFZMXGZMORJOI-WUKNDPDISA-N
Mol Weight 447.95 g/mol
Molecular Formula C17H19ClNO3PS3
Exact Mass 446.995322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RJEQeIMojV
Name 5-(p-Chlorophenyl)-3-[(.alpha.-diethylphosphoryl)methylenethioethyl]-4-cyano-1,2-thiol
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Formula C17H19ClNO3PS3
InChI InChI=1S/C17H19ClNO3PS3/c1-4-21-23(20,22-5-2)17(24-6-3)16-14(11-19)15(25-26-16)12-7-9-13(18)10-8-12/h7-10H,4-6H2,1-3H3/b17-16+
InChIKey YOFZMXGZMORJOI-WUKNDPDISA-N
Molecular Weight 447.950 g/mol
SMILES C=1(\C(SSC1c1ccc(cc1)Cl)=C\(P(=O)(OCC)OCC)SCC)C#N
SPLASH splash10-06r2-0958600000-b3d27d4a1b2faf5a09da
Source of Spectrum AJ-42-108-25
Synonyms (5E)-3-(4-chlorophenyl)-5-[diethoxyphosphoryl-(ethylthio)methylidene]-4-dithiolecarbonitrile (5E)-3-(4-chlorophenyl)-5-[diethoxyphosphoryl(ethylsulfanyl)methylidene]dithiole-4-carbonitrile (5E)-3-(4-chlorophenyl)-5-[diethoxyphosphoryl(ethylsulfanyl)methylene]dithiole-4-carbonitrile (5E)-3-(4-chlorophenyl)-5-[diethoxyphosphoryl(ethylsulfanyl)methylidene]-1,2-dithiole-4-carbonitrile
Wiley ID 1567760