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Etofenamate AC
SpectraBase Compound ID 3qGSLHcOkC2
InChI InChI=1S/C20H20F3NO5/c1-14(25)28-11-9-27-10-12-29-19(26)17-7-2-3-8-18(17)24-16-6-4-5-15(13-16)20(21,22)23/h2-8,13,24H,9-12H2,1H3
InChIKey UBGRXCAAOYFUPQ-UHFFFAOYSA-N
Mol Weight 411.38 g/mol
Molecular Formula C20H20F3NO5
Exact Mass 411.129357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxVtDsMmpjX
Name Etofenamate AC
Classification Antirheumatic
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Exact Mass 411.129357232 u
Formula C20H20F3NO5
InChI InChI=1S/C20H20F3NO5/c1-14(25)28-11-9-27-10-12-29-19(26)17-7-2-3-8-18(17)24-16-6-4-5-15(13-16)20(21,22)23/h2-8,13,24H,9-12H2,1H3
InChIKey UBGRXCAAOYFUPQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 411.377 g/mol
SMILES c1cc(C(=O)OCCOCCOC(C)=O)c(Nc2cccc(C(F)(F)F)c2)cc1
SPLASH splash10-03di-2390100000-617ebe99e96df3181942
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_6094