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2-(Methylsulfanyl)-4-phenyl-3-thiophenecarbonitrile
SpectraBase Compound ID CsDNyzzoB37
InChI InChI=1S/C12H9NS2/c1-14-12-10(7-13)11(8-15-12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey CAKBGDGGYHGZTE-UHFFFAOYSA-N
Mol Weight 231.33 g/mol
Molecular Formula C12H9NS2
Exact Mass 231.017642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyDUBLzmaEw
Name 2-(Methylsulfanyl)-4-phenyl-3-thiophenecarbonitrile
CAS Registry Number 116526-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NS2
InChI InChI=1S/C12H9NS2/c1-14-12-10(7-13)11(8-15-12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey CAKBGDGGYHGZTE-UHFFFAOYSA-N
Molecular Weight 231.331 g/mol
SMILES c1(c(csc1SC)-c1ccccc1)C#N
SPLASH splash10-001i-6890000000-743a775833e648fbe796
Source of Spectrum AD-0-2532-0
Synonyms 2-(methylthio)-4-phenyl-3-thiophenecarbonitrile 2-(methylthio)-4-phenyl-thiophene-3-carbonitrile 2-Methylsulfanyl-4-phenyl-thiophene-3-carbonitrile Thiophene-3-carbonitrile, 2-methylthio-4-phenyl-
Wiley ID 1429076