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3-Thiophenecarbonitrile, 5-[2,2-dimethyl-1-[(4-methylphenyl)thio]propyl]-
SpectraBase Compound ID L4hc8BriyzN
InChI InChI=1S/C17H19NS2/c1-12-5-7-14(8-6-12)20-16(17(2,3)4)15-9-13(10-18)11-19-15/h5-9,11,16H,1-4H3
InChIKey UVZMFXAVBSEXQH-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 6bxJxbzq82a
Name 3-Thiophenecarbonitrile, 5-[2,2-dimethyl-1-[(4-methylphenyl)thio]propyl]-
Alternate Name(s) 5-[2',2'-dimethyl-1'-(p-tolylthio)propyl]thiophen-3-carbonitrile 5-{2,2-dimethyl-1-[(4-methylphenyl)sulfanyl]propyl}-3-thiophenecarbonitrile
CAS Registry Number 111504-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NS2
InChI InChI=1S/C17H19NS2/c1-12-5-7-14(8-6-12)20-16(17(2,3)4)15-9-13(10-18)11-19-15/h5-9,11,16H,1-4H3
InChIKey UVZMFXAVBSEXQH-UHFFFAOYSA-N
Molecular Weight 301.466 g/mol
SMILES c1(scc(c1)C#N)C(Sc1ccc(cc1)C)C(C)(C)C
SPLASH splash10-00fu-4910000000-700ce567961c61fcf9fc
Source of Spectrum B-40-60-26
Wiley ID 1303892