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Vortioxetin TFA
SpectraBase Compound ID B0TXHH3U8Jl
InChI InChI=1S/C20H21F3N2OS/c1-14-7-8-17(15(2)13-14)27-18-6-4-3-5-16(18)24-9-11-25(12-10-24)19(26)20(21,22)23/h3-8,13H,9-12H2,1-2H3
InChIKey WSUUZDUZFXPYSE-UHFFFAOYSA-N
Mol Weight 394.46 g/mol
Molecular Formula C20H21F3N2OS
Exact Mass 394.132669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhAvgmFriF5
Name Vortioxetin TFA
Classification Antidepressant
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Exact Mass 394.132668966 u
Formula C20H21N2OSF3
InChI InChI=1S/C20H21F3N2OS/c1-14-7-8-17(15(2)13-14)27-18-6-4-3-5-16(18)24-9-11-25(12-10-24)19(26)20(21,22)23/h3-8,13H,9-12H2,1-2H3
InChIKey WSUUZDUZFXPYSE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 394.456 g/mol
SMILES C1CN(CCN1c1c(Sc2c(cc(cc2)C)C)cccc1)C(=O)C(F)(F)F
SPLASH splash10-0006-3941000000-ec5b889334bdee53ca2b
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_10342