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Venlafaxine-M (HO-) isomer-1 AC
SpectraBase Compound ID ErokCe9YRmq
InChI InChI=1S/C19H29NO4/c1-14(21)24-17-9-11-19(22,12-10-17)18(13-20(2)3)15-5-7-16(23-4)8-6-15/h5-8,17-18,22H,9-13H2,1-4H3
InChIKey SWNGYHPTWDFDMU-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hux1e3LzHaz
Name Venlafaxine-M (HO-) isomer-1 AC
Classification Antidepressant
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-14(21)24-17-9-11-19(22,12-10-17)18(13-20(2)3)15-5-7-16(23-4)8-6-15/h5-8,17-18,22H,9-13H2,1-4H3
InChIKey SWNGYHPTWDFDMU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 335.444 g/mol
Related CAS Registry Number(s) 93413-69-5
SMILES C(C1(CCC(OC(=O)C)CC1)O)(c1ccc(cc1)OC)CN(C)C
SPLASH splash10-0a4i-9310000000-1c06344e8882e6554b89
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_5270