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Venlafaxine-A (-H2O)
SpectraBase Compound ID 4425eNkeQ4K
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/h7,9-12,17H,4-6,8,13H2,1-3H3
InChIKey OARSYJZOOXFPDU-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 JFuwc6vJNaq
Name Venlafaxine-A (-H2O)
Classification Pharmaceutical drug, sympathomimetic, antidepressant
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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/h7,9-12,17H,4-6,8,13H2,1-3H3
InChIKey OARSYJZOOXFPDU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.393 g/mol
Nominal Mass 259 u
Quality 995
Retention Index 1983
SMILES C(C=1C=CC(=CC1)OC)(C1=CCCCC1)CN(C)C
SPLASH splash10-0a4i-9100000000-aaf716ed519d9a88f91e
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(cyclohex-1-en-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethan-1-amine
Technique GC/MS
Wiley ID DD2024_033071