| SpectraBase Spectrum ID |
CXOsm98TWOP |
| Name |
Tramadol-M (Oxo) AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.178358285 u |
| Formula |
C18H25NO4 |
| InChI |
InChI=1S/C18H25NO4/c1-13(20)23-18(14-7-5-8-15(11-14)22-4)10-6-9-17(21)16(18)12-19(2)3/h5,7-8,11,16H,6,9-10,12H2,1-4H3/t16-,18-/m0/s1 |
| InChIKey |
KFCCKDGYULYLMO-WMZOPIPTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.401 g/mol |
| Nominal Mass |
319 u |
| Quality |
900 |
| Retention Index |
2398 |
| SMILES |
[C@@]1([C@](C(CCC1)=O)(CN(C)C)[H])(C1=CC(=CC=C1)OC)OC(=O)C |
| SPLASH |
splash10-0c09-7910000000-e968d27da29e4ea5822b |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-3-oxocyclohexyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009504 |
