| SpectraBase Compound ID | BdlUUuzCMTt |
|---|---|
| InChI | InChI=1S/C22H26N2O4/c1-4-22(26)13-24-10-8-15(22)11-20(24)21(28-14(2)25)17-7-9-23-19-6-5-16(27-3)12-18(17)19/h4-7,9,12,15,20-21,26H,1,8,10-11,13H2,2-3H3/t15-,20-,21+,22+/m1/s1 |
| InChIKey | SDPMGNAXMMRORO-JAPHVTHTSA-N |
| Mol Weight | 382.46 g/mol |
| Molecular Formula | C22H26N2O4 |
| Exact Mass | 382.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38bqALyV7Ob |
|---|---|
| Name | (3S)-3-Hydroxyquinine-9-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26N2O4 |
| InChI | InChI=1S/C22H26N2O4/c1-4-22(26)13-24-10-8-15(22)11-20(24)21(28-14(2)25)17-7-9-23-19-6-5-16(27-3)12-18(17)19/h4-7,9,12,15,20-21,26H,1,8,10-11,13H2,2-3H3/t15-,20-,21+,22+/m1/s1 |
| InChIKey | SDPMGNAXMMRORO-JAPHVTHTSA-N |
| Molecular Weight | 382.460 g/mol |
| SMILES | O[C@]1(CN2[C@@]([C@](c3c4c(ccc(c4)OC)ncc3)(OC(=O)C)[H])(C[C@]1(CC2)[H])[H])C=C |
| SPLASH | splash10-0udi-0920000000-395ea14e92960b46758a |
| Source of Spectrum | X2-68-943-4 |
| Wiley ID | 1609549 |