| SpectraBase Spectrum ID |
BpX2FTQd8di |
| Name |
10,11-Didehydro-9-hydroxy-6'-methoxycinchonane-10-carbonitrile |
| Comments |
Removed - expert review: contamination (DOP) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21N3O2 |
| InChI |
InChI=1S/C21H21N3O2/c1-26-16-4-5-19-18(12-16)17(6-9-23-19)21(25)20-11-14-7-10-24(20)13-15(14)3-2-8-22/h4-6,9,12,14-15,20-21,25H,7,10-11,13H2,1H3/t14-,15-,20+,21+/m1/s1 |
| InChIKey |
HSGGXUFTFYLGHD-RPQNVMPDSA-N |
| Molecular Weight |
347.418 g/mol |
| SMILES |
O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@]1(N2C[C@@](C#CC#N)([C@](CC2)(C1)[H])[H])[H])[H] |
| SPLASH |
splash10-0002-1910000000-8edf7bcb2d468ddcca8a |
| Source of Spectrum |
H-83-790-5 |
| Wiley ID |
847056 |
