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Venlafaxine -H2O
SpectraBase Compound ID 74bsxsvuEEW
InChI InChI=1S/C17H25NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h5,7,9-12,14,17H,4,6,8,13H2,1-3H3
InChIKey XCCHLROVYQURNO-UHFFFAOYSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 379O8G4h19D
Name Venlafaxine -H2O
Classification Antidepressant
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Exact Mass 259.193614428 u
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h5,7,9-12,14,17H,4,6,8,13H2,1-3H3
InChIKey XCCHLROVYQURNO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.393 g/mol
Related CAS Registry Number(s) 93413-69-5
SMILES C(c1ccc(cc1)OC)(CN(C)C)C1C=CCCC1
SPLASH splash10-0a4i-9100000000-cfd03f2b8d7a5c21b694
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.
Sample Preparation Procedure Detected: U+UHYAC
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_5268