| SpectraBase Compound ID | Eqo1u2ILOxs |
|---|---|
| InChI | InChI=1S/C22H28N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h5-7,9,12,15-16,21-22H,4,8,10-11,13H2,1-3H3/t15-,16-,21-,22-/m1/s1 |
| InChIKey | ZVEDOOXEZTUEBN-AHWCRGGASA-N |
| Mol Weight | 368.48 g/mol |
| Molecular Formula | C22H28N2O3 |
| Exact Mass | 368.209993 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8JJPdgz0kIS |
|---|---|
| Name | Hydroquinine acetate |
| CAS Registry Number | 75917-54-3 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 368.209992767 u |
| Formula | C22H28N2O3 |
| InChI | InChI=1S/C22H28N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h5-7,9,12,15-16,21-22H,4,8,10-11,13H2,1-3H3/t15-,16-,21-,22-/m1/s1 |
| InChIKey | ZVEDOOXEZTUEBN-AHWCRGGASA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 368.477 g/mol |
| Nominal Mass | 368 u |
| Quality | 996 |
| Retention Index | 2900 |
| SMILES | [C@]1([C@@](C=2C=3C(=CC=C(C3)OC)N=CC2)(OC(=O)C)[H])(N2C[C@]([C@@](C1)(CC2)[H])(CC)[H])[H] |
| SPLASH | splash10-0a4u-6935000000-71646932820f7b0e0e53 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | (R)-(5-ethyl-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)methyl acetate |
| Technique | GC/MS |
| Wiley ID | DD2024_033580 |