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Doxepin-M (nor-) HFB
SpectraBase Compound ID 8wVKB5HLnsB
InChI InChI=1S/C22H18F7NO2/c1-30(19(31)20(23,24)21(25,26)22(27,28)29)12-6-10-16-15-8-3-2-7-14(15)13-32-18-11-5-4-9-17(16)18/h2-5,7-11H,6,12-13H2,1H3/b16-10-
InChIKey YDAVVMDGMAVLEH-YBEGLDIGSA-N
Mol Weight 461.38 g/mol
Molecular Formula C22H18F7NO2
Exact Mass 461.122576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WCADgiDZo
Name Doxepin-M (nor-) HFB
Classification Antidepressant
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Exact Mass 461.122575963 u
Formula C22H18NO2F7
InChI InChI=1S/C22H18F7NO2/c1-30(19(31)20(23,24)21(25,26)22(27,28)29)12-6-10-16-15-8-3-2-7-14(15)13-32-18-11-5-4-9-17(16)18/h2-5,7-11H,6,12-13H2,1H3/b16-10-
InChIKey YDAVVMDGMAVLEH-YBEGLDIGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 461.380 g/mol
SMILES c12\C(=C\CCN(C(C(F)(F)C(F)(F)C(F)(F)F)=O)C)c3ccccc3OCc1cccc2
SPLASH splash10-0159-1690000000-f873e9972fc7351cd298
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_7709