| SpectraBase Compound ID | Juc5tOgClZ5 |
|---|---|
| InChI | InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1 |
| InChIKey | PPKXEPBICJTCRU-XMZRARIVSA-N |
| Mol Weight | 299.84 g/mol |
| Molecular Formula | C16H26ClNO2 |
| Exact Mass | 299.165207 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CC7FtdfKvLd |
|---|---|
| Name | Tramadol hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.165206779 u |
| Formula | C16H26ClNO2 |
| InChI | InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1 |
| InChIKey | PPKXEPBICJTCRU-XMZRARIVSA-N |
| SMILES | Cl.O[C@]1([C@](CCCC1)(CN(C)C)[H])C=1C=C(C=CC1)OC |
| Spectrum/Structure Validation Score (Raman) | 0.982302 |