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Vortioxetin ME
SpectraBase Compound ID KCjJtfzI0I
InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-5-4-6-17(19)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
InChIKey ONIODQRFDDUVAG-UHFFFAOYSA-N
Mol Weight 312.48 g/mol
Molecular Formula C19H24N2S
Exact Mass 312.16602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDRkIvJaDkq
Name Vortioxetin ME
Classification Antidepressant
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Exact Mass 312.166019955 u
Formula C19H24N2S
InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-5-4-6-17(19)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
InChIKey ONIODQRFDDUVAG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.475 g/mol
SMILES C1CN(CCN1c1ccccc1Sc1c(cc(cc1)C)C)C
SPLASH splash10-00dl-8941000000-d4e34bfc44a3e90bff16
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_10339