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Thiophene-3-carbonitrile, 4-(4-methylphenyl)-2-methylsulfonyl-
SpectraBase Compound ID HDLpkYjLZcd
InChI InChI=1S/C13H11NO2S2/c1-9-3-5-10(6-4-9)12-8-17-13(11(12)7-14)18(2,15)16/h3-6,8H,1-2H3
InChIKey DKXGBNVAMDWMRK-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C13H11NO2S2
Exact Mass 277.023121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BE0l9mRbbua
Name Thiophene-3-carbonitrile, 4-(4-methylphenyl)-2-methylsulfonyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S2
InChI InChI=1S/C13H11NO2S2/c1-9-3-5-10(6-4-9)12-8-17-13(11(12)7-14)18(2,15)16/h3-6,8H,1-2H3
InChIKey DKXGBNVAMDWMRK-UHFFFAOYSA-N
Molecular Weight 277.356 g/mol
SMILES c1(c(S(=O)(=O)C)scc1-c1ccc(cc1)C)C#N
SPLASH splash10-004i-0980000000-33b03047d65323b692e0
Source of Spectrum AD-0-2532-0
Synonyms 2-Mesyl-4-(p-tolyl)thiophene-3-carbonitrile 2-Methylsulfonyl-4-(p-tolyl)thiophene-3-carbonitrile 4-(4-Methylphenyl)-2-methylsulfonyl-3-thiophenecarbonitrile 4-(4-Methylphenyl)-2-methylsulfonyl-thiophene-3-carbonitrile
Wiley ID 1429794