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Propennitrile, 2-(4-chlorophenylsulfonyl)-3-(2-pyrimidylamino)-
SpectraBase Compound ID 5c19pwzJEA0
InChI InChI=1S/C13H9ClN4O2S/c14-10-2-4-11(5-3-10)21(19,20)12(8-15)9-18-13-16-6-1-7-17-13/h1-7,9H,(H,16,17,18)/b12-9+
InChIKey NFVICGVEOQRBCT-FMIVXFBMSA-N
Mol Weight 320.75 g/mol
Molecular Formula C13H9ClN4O2S
Exact Mass 320.013474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PKpu6VKRvw
Name Propennitrile, 2-(4-chlorophenylsulfonyl)-3-(2-pyrimidylamino)-
Alternate Name(s) (2E)-2-[(4-Chlorophenyl)sulfonyl]-3-(2-pyrimidinylamino)-2-propenenitrile (E)-2-(4-chlorophenyl)sulfonyl-3-(2-pyrimidinylamino)-2-propenenitrile (E)-2-(4-chlorophenyl)sulfonyl-3-(2-pyrimidylamino)acrylonitrile (E)-2-(4-chlorophenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile
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Formula C13H9ClN4O2S
InChI InChI=1S/C13H9ClN4O2S/c14-10-2-4-11(5-3-10)21(19,20)12(8-15)9-18-13-16-6-1-7-17-13/h1-7,9H,(H,16,17,18)/b12-9+
InChIKey NFVICGVEOQRBCT-FMIVXFBMSA-N
Molecular Weight 320.754 g/mol
SMILES N(c1ncccn1)\C=C/(S(c1ccc(cc1)Cl)(=O)=O)C#N
SPLASH splash10-0002-6900000000-57a728072ba8dc39b169
Source of Spectrum AD-0-2532-0
Wiley ID 1429077