| SpectraBase Compound ID | 2Z8J81bTgca |
|---|---|
| InChI | InChI=1S/C20H21BrN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-3,5,8,11,13-14,19-20,24H,6,9-10,12H2,1H3/t13-,14-,19+,20+/m1/s1 |
| InChIKey | JYIFXBJYIMGKFW-NSMLZSOPSA-N |
| Mol Weight | 401.3 g/mol |
| Molecular Formula | C20H21BrN2O2 |
| Exact Mass | 400.078641 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 33tGv9ONIO |
|---|---|
| Name | (9R)-10,11-Didehydro-11-bromo-6'-methoxycinchonan-9-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H21BrN2O2 |
| InChI | InChI=1S/C20H21BrN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-3,5,8,11,13-14,19-20,24H,6,9-10,12H2,1H3/t13-,14-,19+,20+/m1/s1 |
| InChIKey | JYIFXBJYIMGKFW-NSMLZSOPSA-N |
| Molecular Weight | 401.304 g/mol |
| SMILES | O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@]1(N2C[C@@](C#CBr)([C@](CC2)(C1)[H])[H])[H])[H] |
| SPLASH | splash10-03di-1894000000-6813217dc59c394ef9bb |
| Source of Spectrum | H-83-789-6 |
| Wiley ID | 847058 |