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Venlafaxine-M (nor-) -H2O HFB
SpectraBase Compound ID 1dMILIjoafc
InChI InChI=1S/C20H22F7NO2/c1-28(17(29)18(21,22)19(23,24)20(25,26)27)12-16(13-6-4-3-5-7-13)14-8-10-15(30-2)11-9-14/h6,8-11,16H,3-5,7,12H2,1-2H3
InChIKey WXOUGEXFDDDGEW-UHFFFAOYSA-N
Mol Weight 441.39 g/mol
Molecular Formula C20H22F7NO2
Exact Mass 441.153876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z6DRp0K2a
Name Venlafaxine-M (nor-) -H2O HFB
Classification Antidepressant
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Exact Mass 441.153876091 u
Formula C20H22NO2F7
InChI InChI=1S/C20H22F7NO2/c1-28(17(29)18(21,22)19(23,24)20(25,26)27)12-16(13-6-4-3-5-7-13)14-8-10-15(30-2)11-9-14/h6,8-11,16H,3-5,7,12H2,1-2H3
InChIKey WXOUGEXFDDDGEW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 441.390 g/mol
SMILES c1(C(C=2CCCCC2)CN(C)C(C(F)(F)C(F)(F)C(F)(F)F)=O)ccc(cc1)OC
SPLASH splash10-0udi-4960000000-ff48be20cc731117a385
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_7695