| SpectraBase Compound ID | 1ZIXx6CeIeJ |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-13(20)19-12-16-7-4-5-10-18(16,23-14(2)21)15-8-6-9-17(11-15)22-3/h6,8-9,11,16H,4-5,7,10,12H2,1-3H3,(H,19,20)/t16-,18+/m1/s1 |
| InChIKey | RUMHOXQTZJNBDR-AEFFLSMTSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5UlYvx0huyG |
|---|---|
| Name | Tramadol-M (Bisnor) 2AC |
| Classification | Pharmaceutical drug metabolite |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-13(20)19-12-16-7-4-5-10-18(16,23-14(2)21)15-8-6-9-17(11-15)22-3/h6,8-9,11,16H,4-5,7,10,12H2,1-3H3,(H,19,20)/t16-,18+/m1/s1 |
| InChIKey | RUMHOXQTZJNBDR-AEFFLSMTSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 319.401 g/mol |
| Nominal Mass | 319 u |
| Quality | 914 |
| Retention Index | 2474 |
| SMILES | [C@@]1([C@@](CNC(=O)C)(CCCC1)[H])(C1=CC(=CC=C1)OC)OC(=O)C |
| SPLASH | splash10-02mr-4912000000-343244b73530d34233c3 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | (1R,2R)-2-((acetylamino)methyl)-1-(3-methoxyphenyl)cyclohexyl acetate |
| Technique | GC/MS |
| Wiley ID | DD2024_004074 |