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Venlafaxine
SpectraBase Compound ID LgwH5xuXMzi
InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKey PNVNVHUZROJLTJ-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oYztFrDJ5s
Name Venlafaxine
CAS Registry Number 93413-69-5
Classification Pharmaceutical drug, sympathomimetic, antidepressant
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKey PNVNVHUZROJLTJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 277.408 g/mol
Nominal Mass 277 u
Quality 991
Retention Index 2128
SMILES OC1(C(C2=CC=C(C=C2)OC)CN(C)C)CCCCC1
SPLASH splash10-0a4i-9300000000-23e6695abc63301a2d11
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-[2-Dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
Technique GC/MS
Wiley ID DD2024_033515