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2-(Chloromethyl)-3-tosyl-4-pentenenitrile
SpectraBase Compound ID DQaWiTfBAmE
InChI InChI=1S/C13H14ClNO2S/c1-10-3-5-12(6-4-10)18(16,17)13(7-8-15)11(2)9-14/h3-6,13H,2,7,9H2,1H3
InChIKey HESMPNRUROMANN-UHFFFAOYSA-N
Mol Weight 283.77 g/mol
Molecular Formula C13H14ClNO2S
Exact Mass 283.043378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCFDWzjgb6U
Name 2-(Chloromethyl)-3-tosyl-4-pentenenitrile
Alternate Name(s) 2-(chloromethyl)-3-[(4-methylphenyl)sulfonyl]-4-pentenenitrile 4-(Chloromethyl)-3-tosyl-4-pentenenitrile
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Formula C13H14ClNO2S
InChI InChI=1S/C13H14ClNO2S/c1-10-3-5-12(6-4-10)18(16,17)13(7-8-15)11(2)9-14/h3-6,13H,2,7,9H2,1H3
InChIKey HESMPNRUROMANN-UHFFFAOYSA-N
Molecular Weight 283.773 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=C)CCl)CC#N
SPLASH splash10-052f-9300000000-f2edba997348e964625f
Source of Spectrum F-50-3504-9
Wiley ID 1286748