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Acetonitrile, 2-(4-methylphenylsulfonyl)-2-(1,3-dithian-2-ylidene)-
SpectraBase Compound ID Ca6CON6rOxW
InChI InChI=1S/C13H13NO2S3/c1-10-3-5-11(6-4-10)19(15,16)12(9-14)13-17-7-2-8-18-13/h3-6H,2,7-8H2,1H3
InChIKey JUHMOJAYIGKCPH-UHFFFAOYSA-N
Mol Weight 311.43 g/mol
Molecular Formula C13H13NO2S3
Exact Mass 311.010842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B24jEMZNapJ
Name Acetonitrile, 2-(4-methylphenylsulfonyl)-2-(1,3-dithian-2-ylidene)-
Alternate Name(s) 1,3-Dithian-2-ylidene[(4-methylphenyl)sulfonyl]acetonitrile 2-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanenitrile 2-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile 2-(1,3-dithian-2-ylidene)-2-(p-tolylsulfonyl)acetonitrile 2-(1,3-dithian-2-ylidene)-2-tosyl-acetonitrile
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Formula C13H13NO2S3
InChI InChI=1S/C13H13NO2S3/c1-10-3-5-11(6-4-10)19(15,16)12(9-14)13-17-7-2-8-18-13/h3-6H,2,7-8H2,1H3
InChIKey JUHMOJAYIGKCPH-UHFFFAOYSA-N
Molecular Weight 311.432 g/mol
SMILES Cc1ccc(S(C(=C2SCCCS2)C#N)(=O)=O)cc1
SPLASH splash10-0006-9200000000-ba6909bf3fd726b5b391
Source of Spectrum AD-0-2532-0
Wiley ID 1429011