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Venlafaxine-M -H2O PFP
SpectraBase Compound ID AiPNIUObPf2
InChI InChI=1S/C19H24F5NO3/c1-25(2)12-15(17(27)10-4-3-5-11-17)13-6-8-14(9-7-13)28-16(26)18(20,21)19(22,23)24/h6-9,15,27H,3-5,10-12H2,1-2H3
InChIKey VGEHRIIXNNKXQH-UHFFFAOYSA-N
Mol Weight 409.4 g/mol
Molecular Formula C19H24F5NO3
Exact Mass 409.167634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzVvyN1rTJm
Name Venlafaxine-M -H2O PFP
Classification Antidepressant
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Exact Mass 409.167634449 u
Formula C19H24NO3F5
InChI InChI=1S/C19H24F5NO3/c1-25(2)12-15(17(27)10-4-3-5-11-17)13-6-8-14(9-7-13)28-16(26)18(20,21)19(22,23)24/h6-9,15,27H,3-5,10-12H2,1-2H3
InChIKey VGEHRIIXNNKXQH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 409.397 g/mol
SMILES C(C1(CCCCC1)O)(c1ccc(OC(=O)C(F)(F)C(F)(F)F)cc1)CN(C)C
SPLASH splash10-0a4i-9200000000-31949bd1a0789f93edc0
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
Synonyms Venlafaxine-M (O-demethyl-) -H2O PFP
Technique GC/MS
Wiley ID MMPW6e_7715