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1,1,2-Trichloro-4-(2,5-dimethylphenylthio)-1-buten-3-yne
SpectraBase Compound ID 9BDdF6bP6A0
InChI InChI=1S/C12H9Cl3S/c1-8-3-4-9(2)11(7-8)16-6-5-10(13)12(14)15/h3-4,7H,1-2H3
InChIKey LQUCZNVGYFVYRX-UHFFFAOYSA-N
Mol Weight 291.62 g/mol
Molecular Formula C12H9Cl3S
Exact Mass 289.949055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Khye0YzpD2y
Name 1,1,2-Trichloro-4-(2,5-dimethylphenylthio)-1-buten-3-yne
Alternate Name(s) (2,5-dimethylphenyl)(3,4,4-trichlorobut-3-en-1-yn-1-yl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl3S
InChI InChI=1S/C12H9Cl3S/c1-8-3-4-9(2)11(7-8)16-6-5-10(13)12(14)15/h3-4,7H,1-2H3
InChIKey LQUCZNVGYFVYRX-UHFFFAOYSA-N
Literature Reference DOI 10.5012/bkcs.2010.31.8.2255
Molecular Weight 291.623 g/mol
SMILES C(Cl)(=C(Cl)C#CSc1cc(ccc1C)C)Cl
SPLASH splash10-00du-2490000000-a74077a515d5591d158c
Source of Spectrum QB-31-3-3a
Wiley ID 1743658