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1,1,2-Trichloro-4-(2,6-dimethylphenylthio)-1-buten-3-yne
SpectraBase Compound ID 1BIz2TQxwq2
InChI InChI=1S/C12H9Cl3S/c1-8-4-3-5-9(2)11(8)16-7-6-10(13)12(14)15/h3-5H,1-2H3
InChIKey UPNJSSOLYUIICO-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 AacjMG6mHMx
Name 1,1,2-Trichloro-4-(2,6-dimethylphenylthio)-1-buten-3-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl3S
InChI InChI=1S/C12H9Cl3S/c1-8-4-3-5-9(2)11(8)16-7-6-10(13)12(14)15/h3-5H,1-2H3
InChIKey UPNJSSOLYUIICO-UHFFFAOYSA-N
Literature Reference DOI 10.5012/bkcs.2010.31.8.2255
Molecular Weight 291.623 g/mol
SMILES C(Cl)(=C(Cl)C#CSc1c(cccc1C)C)Cl
SPLASH splash10-000f-1490000000-4d9078a4e60dae695cf1
Source of Spectrum QB-31-3-3c
Synonyms (2,6-dimethylphenyl)(3,4,4-trichlorobut-3-en-1-yn-1-yl)sulfane
Wiley ID 1743660