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4-(3-Chlorophenyl)-2-(methylsulfonyl)-3-thiophenecarbonitrile
SpectraBase Compound ID 71kBf1klcWw
InChI InChI=1S/C12H8ClNO2S2/c1-18(15,16)12-10(6-14)11(7-17-12)8-3-2-4-9(13)5-8/h2-5,7H,1H3
InChIKey ZVNUQSVCABENCO-UHFFFAOYSA-N
Mol Weight 297.77 g/mol
Molecular Formula C12H8ClNO2S2
Exact Mass 296.968499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EkWDBcui4h
Name 4-(3-Chlorophenyl)-2-(methylsulfonyl)-3-thiophenecarbonitrile
CAS Registry Number 116526-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClNO2S2
InChI InChI=1S/C12H8ClNO2S2/c1-18(15,16)12-10(6-14)11(7-17-12)8-3-2-4-9(13)5-8/h2-5,7H,1H3
InChIKey ZVNUQSVCABENCO-UHFFFAOYSA-N
Molecular Weight 297.774 g/mol
SMILES c1(c(S(=O)(=O)C)scc1-c1cc(Cl)ccc1)C#N
SPLASH splash10-0002-3390000000-0a8ab014278bee1bef18
Source of Spectrum AD-0-2532-0
Synonyms 4-(3-Chlorophenyl)-2-mesyl-thiophene-3-carbonitrile 4-(3-Chlorophenyl)-2-methylsulfonyl-thiophene-3-carbonitrile Thiophene-3-carbonitrile, 4-(3-chlorophenyl)-2-methylsulfonyl- 4-(3-Chlorophenyl)-2-methylsulfonyl-3-thiophenecarbonitrile
Wiley ID 1429749