| SpectraBase Spectrum ID |
Ihl79JXGziG |
| 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 |
932 |
| Retention Index |
1980 |
| SMILES |
O[C@]1([C@@](CNC)(CCCC1)[H])C1=CC(=CC=C1)OC |
| SPLASH |
splash10-000i-4910000000-6a59613ce0371339a100 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032643 |
