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2-Thiophenecarbonitrile, 5-[2,2-dimethyl-1-[(4-methylphenyl)thio]propyl]-
SpectraBase Compound ID Do90XEuFQQN
InChI InChI=1S/C17H19NS2/c1-12-5-7-13(8-6-12)20-16(17(2,3)4)15-10-9-14(11-18)19-15/h5-10,16H,1-4H3
InChIKey JYHOODFSLBQVSL-UHFFFAOYSA-N
Mol Weight 301.47 g/mol
Molecular Formula C17H19NS2
Exact Mass 301.095892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ffnOKdEMcu
Name 2-Thiophenecarbonitrile, 5-[2,2-dimethyl-1-[(4-methylphenyl)thio]propyl]-
CAS Registry Number 111504-78-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NS2
InChI InChI=1S/C17H19NS2/c1-12-5-7-13(8-6-12)20-16(17(2,3)4)15-10-9-14(11-18)19-15/h5-10,16H,1-4H3
InChIKey JYHOODFSLBQVSL-UHFFFAOYSA-N
Molecular Weight 301.466 g/mol
SMILES c1(sc(C#N)cc1)C(Sc1ccc(cc1)C)C(C)(C)C
SPLASH splash10-05dl-8910000000-fde692aef03be7a50ee8
Source of Spectrum B-40-60-28
Synonyms 5-[2',2'-dimethyl-1'-(p-tolylthio)propyl]thiophen-2-carbonitrile 5-{2,2-dimethyl-1-[(4-methylphenyl)sulfanyl]propyl}-2-thiophenecarbonitrile
Wiley ID 1303893