| SpectraBase Compound ID | k1FtMQws42 |
|---|---|
| InChI | InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18-,19-,20+/m1/s1 |
| InChIKey | BSRUJCFCZKMFMB-AQWZQNETSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C20H24N2O3 |
| Exact Mass | 340.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5IyeQzOumDW |
|---|---|
| Name | (3S)-3-Hydroxyquinine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24N2O3 |
| InChI | InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18-,19-,20+/m1/s1 |
| InChIKey | BSRUJCFCZKMFMB-AQWZQNETSA-N |
| Molecular Weight | 340.423 g/mol |
| SMILES | O[C@@]([C@@]1(N2C[C@]([C@@](C1)(CC2)[H])(C=C)O)[H])(c1c2c(ncc1)ccc(c2)OC)[H] |
| SPLASH | splash10-0udr-0900000000-d6d5ff53450b362e247a |
| Source of Spectrum | X2-68-943-2 |
| Wiley ID | 1609613 |