| SpectraBase Compound ID | 6s2iLnhXzxf |
|---|---|
| InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
| InChIKey | LOUPRKONTZGTKE-WZBLMQSHSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C20H24N2O2 |
| Exact Mass | 324.183778 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FMTAFGKSypq |
|---|---|
| Name | Quinine |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C20H24N2O2 |
| InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
| InChIKey | LOUPRKONTZGTKE-WZBLMQSHSA-N |
| SMILES | O[C@@]([C@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(c1ccnc2c1cc(cc2)OC)[H] |
| SPLASH | splash10-000i-5900000000-6b4d5fb21119f8c83c14 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |