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Thiophanate-methyl 4ME
SpectraBase Compound ID 2dSzzcTjpBN
InChI InChI=1S/C16H22N4O4S2/c1-17(13(25)19(3)15(21)23-5)11-9-7-8-10-12(11)18(2)14(26)20(4)16(22)24-6/h7-10H,1-6H3
InChIKey BIYHHKDARJKNTM-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C16H22N4O4S2
Exact Mass 398.108248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eMiTreyKsB
Name Thiophanate-methyl 4ME
Classification Herbicide
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Exact Mass 398.108247548 u
Formula C16H22N4O4S2
InChI InChI=1S/C16H22N4O4S2/c1-17(13(25)19(3)15(21)23-5)11-9-7-8-10-12(11)18(2)14(26)20(4)16(22)24-6/h7-10H,1-6H3
InChIKey BIYHHKDARJKNTM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 398.496 g/mol
Related CAS Registry Number(s) 23564-05-8
SMILES c1ccc(N(C)C(=S)N(C)C(=O)OC)c(N(C)C(N(C)C(=O)OC)=S)c1
SPLASH splash10-000i-9301000000-43cf941140bf19b78786
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_3943