| SpectraBase Compound ID | KhclEiN99Ec |
|---|---|
| InChI | InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1 |
| InChIKey | LJOQGZACKSYWCH-WZBLMQSHSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C20H26N2O2 |
| Exact Mass | 326.199428 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AeBPvAi4vj2 |
|---|---|
| Name | Hydroquinine |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C20H26N2O2 |
| InChI | InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1 |
| InChIKey | LJOQGZACKSYWCH-WZBLMQSHSA-N |
| SMILES | O[C@@]([C@]1(N2C[C@@]([C@](C1)(CC2)[H])(CC)[H])[H])(c1ccnc2c1cc(cc2)OC)[H] |
| SPLASH | splash10-0bti-1910000000-2e0c3ee28cc25a9d6f4c |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |