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N-Desmethyltramadol
SpectraBase Compound ID E2oW5nMjgft
InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
InChIKey VUMQHLSPUAFKKK-HIFRSBDPSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GI4VHJ2OzQ
Name N-Desmethyltramadol
CAS Registry Number 73806-55-0
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
InChIKey VUMQHLSPUAFKKK-HIFRSBDPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 249.354 g/mol
Nominal Mass 249 u
Quality 995
Retention Index 1980
SMILES O[C@]1([C@@](CNC)(CCCC1)[H])C1=CC(=CC=C1)OC
SPLASH splash10-000f-9710000000-fdff07d7bceb38124fc8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol
Technique GC/MS
Wiley ID DD2024_002606