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1,1,2-Trichloro-4-(3,5-dimethylphenylthio)-1-buten-3-yne
SpectraBase Compound ID 9V92k5k1fvj
InChI InChI=1S/C12H9Cl3S/c1-8-5-9(2)7-10(6-8)16-4-3-11(13)12(14)15/h5-7H,1-2H3
InChIKey STTGYSNQNHLIGU-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 5h40EEZzufN
Name 1,1,2-Trichloro-4-(3,5-dimethylphenylthio)-1-buten-3-yne
Alternate Name(s) (3,5-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/c1-8-5-9(2)7-10(6-8)16-4-3-11(13)12(14)15/h5-7H,1-2H3
InChIKey STTGYSNQNHLIGU-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(cc(c1)C)C)Cl
SPLASH splash10-00di-2190000000-569f2b0866f860b7e4cc
Source of Spectrum QB-31-3-3b
Wiley ID 1743659