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Venlafaxine AC
SpectraBase Compound ID 27xIpsfbDoe
InChI InChI=1S/C19H29NO3/c1-15(21)23-19(12-6-5-7-13-19)18(14-20(2)3)16-8-10-17(22-4)11-9-16/h8-11,18H,5-7,12-14H2,1-4H3
InChIKey JGOQAINEPLQITA-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kZ0XEaDi4
Name Venlafaxine AC
Classification Antidepressant
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Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-15(21)23-19(12-6-5-7-13-19)18(14-20(2)3)16-8-10-17(22-4)11-9-16/h8-11,18H,5-7,12-14H2,1-4H3
InChIKey JGOQAINEPLQITA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.445 g/mol
Related CAS Registry Number(s) 93413-69-5
SMILES C1(C(c2ccc(OC)cc2)CN(C)C)(OC(=O)C)CCCCC1
SPLASH splash10-0a4i-9400000000-7a4e15f436ed6b2ae359
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_5267