| SpectraBase Spectrum ID |
JGQ4kI9lYXY |
| Name |
Tramadol-M (OH) 2AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
363.204573033 u |
| Formula |
C20H29NO5 |
| InChI |
InChI=1S/C20H29NO5/c1-14(22)25-19-11-7-9-17(13-21(3)4)20(19,26-15(2)23)16-8-6-10-18(12-16)24-5/h6,8,10,12,17,19H,7,9,11,13H2,1-5H3/t17-,19?,20+/m1/s1 |
| InChIKey |
HMKQCYFZRBIMCK-BPYOIECJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
363.454 g/mol |
| Nominal Mass |
363 u |
| Quality |
932 |
| Retention Index |
2745 |
| SMILES |
[C@@]1([C@](CCCC1OC(=O)C)(CN(C)C)[H])(C1=CC(=CC=C1)OC)OC(=O)C |
| SPLASH |
splash10-0a4i-9200000000-1b3e84bf32974f237aed |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,6R)-2-(acetyloxy)-6-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004075 |
