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Duloxetine isomer-1 TFA
SpectraBase Compound ID Gceau6BoES
InChI InChI=1S/C20H18F3NO2S/c1-24(19(25)20(21,22)23)12-11-17(18-10-5-13-27-18)26-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3
InChIKey IYNGMCPKQFTWDA-UHFFFAOYSA-N
Mol Weight 393.42 g/mol
Molecular Formula C20H18F3NO2S
Exact Mass 393.101034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MSdFzSnL7h
Name Duloxetine isomer-2 TFA
Classification Antidepressant
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Exact Mass 393.101034485 u
Formula C20H18NO2SF3
InChI InChI=1S/C20H18F3NO2S/c1-24(19(25)20(21,22)23)12-11-17(18-10-5-13-27-18)26-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3
InChIKey IYNGMCPKQFTWDA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.424 g/mol
SMILES c1cc2cccc(c2cc1)OC(CCN(C(C(F)(F)F)=O)C)c1cccs1
SPLASH splash10-000l-3691000000-c30713653d4840b51b6c
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_7467