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Dimethyl-thianthrene
SpectraBase Compound ID KQ7oJRi70go
InChI InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3
InChIKey AHXDSVSZEZHDLV-UHFFFAOYSA-N
Mol Weight 244.37 g/mol
Molecular Formula C14H12S2
Exact Mass 244.038043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHvol2wL9fj
Name Mesulphen
CAS Registry Number 135-58-0
Classification Scabicide
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Exact Mass 244.038042734 u
Formula C14H12S2
InChI InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3
InChIKey AHXDSVSZEZHDLV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 244.370 g/mol
SMILES Cc1cc2Sc3c(Sc2cc1)cc(cc3)C
SPLASH splash10-03dl-2590000000-d0dd8006037b01e101c2
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 UHY UHYAC
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_5377