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Desmedipham TFA
SpectraBase Compound ID 92xLGtzwtMP
InChI InChI=1S/C18H15F3N2O5/c1-2-27-17(26)23(15(24)18(19,20)21)13-9-6-10-14(11-13)28-16(25)22-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,22,25)
InChIKey MJLTYLZZHGRQNL-UHFFFAOYSA-N
Mol Weight 396.32 g/mol
Molecular Formula C18H15F3N2O5
Exact Mass 396.093306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cYE4XCHieE
Name Desmedipham TFA
Classification Herbicide
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Exact Mass 396.093306075 u
Formula C18H15F3N2O5
InChI InChI=1S/C18H15F3N2O5/c1-2-27-17(26)23(15(24)18(19,20)21)13-9-6-10-14(11-13)28-16(25)22-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,22,25)
InChIKey MJLTYLZZHGRQNL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.322 g/mol
Related CAS Registry Number(s) 13684-56-5
SMILES c1ccc(NC(Oc2cc(N(C(C(F)(F)F)=O)C(=O)OCC)ccc2)=O)cc1
SPLASH splash10-016r-9551000000-e1d769291f938de93dc9
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_4125