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Mesulphen-M (di-HOOC-) 2ME
SpectraBase Compound ID FBpsueYeSqw
InChI InChI=1S/C16H12O4S2/c1-19-15(17)9-3-5-11-13(7-9)21-12-6-4-10(16(18)20-2)8-14(12)22-11/h3-8H,1-2H3
InChIKey PFLXFNXTWWECMK-UHFFFAOYSA-N
Mol Weight 332.39 g/mol
Molecular Formula C16H12O4S2
Exact Mass 332.017701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JvN6qfmYhP
Name Mesulphen-M (di-HOOC-) 2ME
Classification Scabicide
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Exact Mass 332.017701210 u
Formula C16H12O4S2
InChI InChI=1S/C16H12O4S2/c1-19-15(17)9-3-5-11-13(7-9)21-12-6-4-10(16(18)20-2)8-14(12)22-11/h3-8H,1-2H3
InChIKey PFLXFNXTWWECMK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 332.388 g/mol
SMILES COC(c1cc2Sc3c(Sc2cc1)cc(C(=O)OC)cc3)=O
SPLASH splash10-0ue9-1359000000-ff27c5bc56fca408c7e7
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: UME
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_5392