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Tianeptine artifact (methyl-ring)
SpectraBase Compound ID JLW7JxsUKqz
InChI InChI=1S/C15H14ClNO2S/c1-10-12-5-3-4-6-14(12)17(2)20(18,19)15-9-11(16)7-8-13(10)15/h3-10H,1-2H3
InChIKey DJDQNLLINWDERA-UHFFFAOYSA-N
Mol Weight 307.8 g/mol
Molecular Formula C15H14ClNO2S
Exact Mass 307.043378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WM0EO1969v
Name Tianeptine artifact (methyl-ring)
Classification Antidepressant
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Exact Mass 307.043377567 u
Formula C15H14NO2SCl
InChI InChI=1S/C15H14ClNO2S/c1-10-12-5-3-4-6-14(12)17(2)20(18,19)15-9-11(16)7-8-13(10)15/h3-10H,1-2H3
InChIKey DJDQNLLINWDERA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 307.795 g/mol
Related CAS Registry Number(s) 66981-73-5
SMILES c1c2S(N(c3c(C(c2ccc1Cl)C)cccc3)C)(=O)=O
SPLASH splash10-004l-9882000000-3fd8e97257fdc900444a
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_8207