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Thiophanate 4ME
SpectraBase Compound ID 1zF3iPdLSD9
InChI InChI=1S/C18H26N4O4S2/c1-7-25-17(23)21(5)15(27)19(3)13-11-9-10-12-14(13)20(4)16(28)22(6)18(24)26-8-2/h9-12H,7-8H2,1-6H3
InChIKey WIDQPRVMKKJOOH-UHFFFAOYSA-N
Mol Weight 426.55 g/mol
Molecular Formula C18H26N4O4S2
Exact Mass 426.139548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZXrcdYLGBo
Name Thiophanate 4ME
Classification Fungicide
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Exact Mass 426.139547677 u
Formula C18H26N4O4S2
InChI InChI=1S/C18H26N4O4S2/c1-7-25-17(23)21(5)15(27)19(3)13-11-9-10-12-14(13)20(4)16(28)22(6)18(24)26-8-2/h9-12H,7-8H2,1-6H3
InChIKey WIDQPRVMKKJOOH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 426.550 g/mol
Related CAS Registry Number(s) 23564-06-9
SMILES c1cc(N(C)C(N(C(=O)OCC)C)=S)c(cc1)N(C)C(=S)N(C)C(OCC)=O
SPLASH splash10-000i-9400000000-6a04db8598699f5e2084
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_3977