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Venlafaxine-M (HO-) isomer-1
SpectraBase Compound ID Kqh9xs2Hkq2
InChI InChI=1S/C17H27NO3/c1-18(2)12-16(13-4-6-15(21-3)7-5-13)17(20)10-8-14(19)9-11-17/h4-7,14,16,19-20H,8-12H2,1-3H3
InChIKey POIGUNAIUAPKJM-UHFFFAOYSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT9Lz4kRDid
Name Venlafaxine-M (HO-) isomer-2
Classification Antidepressant
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 293.199093730 u
Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-18(2)12-16(13-4-6-15(21-3)7-5-13)17(20)10-8-14(19)9-11-17/h4-7,14,16,19-20H,8-12H2,1-3H3
InChIKey POIGUNAIUAPKJM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 293.407 g/mol
Related CAS Registry Number(s) 93413-69-5
SMILES C(C1(CCC(O)CC1)O)(c1ccc(OC)cc1)CN(C)C
SPLASH splash10-0a4i-9300000000-c0d3e1f081db4dc7e5b9
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_5279