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3,4-Dichlorothiophenol
SpectraBase Compound ID BTHpMltyq51
InChI InChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey HNJZDPKMMZXSKT-UHFFFAOYSA-N
Mol Weight 179.06 g/mol
Molecular Formula C6H4Cl2S
Exact Mass 177.941077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GCmB5sIN96
Name Lindane-M (dichlorothiophenol)
Classification Insecticide
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 177.941076703 u
Formula C6H4Cl2S
InChI InChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey HNJZDPKMMZXSKT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 179.064 g/mol
SMILES c1c(cc(c(c1)Cl)Cl)S
SPLASH splash10-002f-3900000000-32e62c3d1e1c80b13db1
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3362