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Bemetizide 2ME
SpectraBase Compound ID 6rHKI2MleiU
InChI InChI=1S/C17H20ClN3O4S2/c1-11(12-7-5-4-6-8-12)17-20-14-9-13(18)15(26(22,23)19-2)10-16(14)27(24,25)21(17)3/h4-11,17,19-20H,1-3H3
InChIKey RWMYKDCLDDJHKW-UHFFFAOYSA-N
Mol Weight 429.94 g/mol
Molecular Formula C17H20ClN3O4S2
Exact Mass 429.058376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArXXfrdgrk9
Name Bemetizide 2ME
Classification Diuretic
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Exact Mass 429.058376180 u
Formula C17H20ClN3O4S2
InChI InChI=1S/C17H20ClN3O4S2/c1-11(12-7-5-4-6-8-12)17-20-14-9-13(18)15(26(22,23)19-2)10-16(14)27(24,25)21(17)3/h4-11,17,19-20H,1-3H3
InChIKey RWMYKDCLDDJHKW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 429.937 g/mol
SMILES c1(C(C2Nc3cc(c(cc3S(N2C)(=O)=O)S(=O)(NC)=O)Cl)C)ccccc1
SPLASH splash10-00c0-1209400000-0a53cf4d2cded263f923
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.
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_2854