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Doxepin-M (nor-) TFA
SpectraBase Compound ID 9CSzJukQSvT
InChI InChI=1S/C20H18F3NO2/c1-24(19(25)20(21,22)23)12-6-10-16-15-8-3-2-7-14(15)13-26-18-11-5-4-9-17(16)18/h2-5,7-11H,6,12-13H2,1H3/b16-10+
InChIKey CYFMMGNJOSCEIO-MHWRWJLKSA-N
Mol Weight 361.36 g/mol
Molecular Formula C20H18F3NO2
Exact Mass 361.128963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lm4xGopKmua
Name Doxepin-M (nor-) TFA
Classification Antidepressant
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Exact Mass 361.128963311 u
Formula C20H18NO2F3
InChI InChI=1S/C20H18F3NO2/c1-24(19(25)20(21,22)23)12-6-10-16-15-8-3-2-7-14(15)13-26-18-11-5-4-9-17(16)18/h2-5,7-11H,6,12-13H2,1H3/b16-10+
InChIKey CYFMMGNJOSCEIO-MHWRWJLKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 361.364 g/mol
SMILES c12\C(=C\CCN(C(C(F)(F)F)=O)C)c3ccccc3COc2cccc1
SPLASH splash10-0fur-1790000000-17a883099fd4ffd1a7ed
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_7668