| SpectraBase Spectrum ID |
EDGpQkY9XW2 |
| Name |
(1RS,2SR)-2-(benzylamino)-1-(phenylethynyl)cyclohexanol hydrobromide |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.104127396 u |
| Formula |
C21H24BrNO |
| InChI |
InChI=1S/C21H23NO.BrH/c23-21(16-14-18-9-3-1-4-10-18)15-8-7-13-20(21)22-17-19-11-5-2-6-12-19;/h1-6,9-12,20,22-23H,7-8,13,15,17H2;1H/t20-,21+;/m1./s1 |
| InChIKey |
LXFMTZJSVKUUQK-BHDTVMLSSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600273 |
| Molecular Weight |
386.333 g/mol |
| Quality |
222 |
| SMILES |
N([C@@]1(CCCC[C@@]1(C#CC1=CC=CC=C1)O)[H])CC1=CC=CC=C1.Br |
| SPLASH |
splash10-0006-9100000000-d4e140d0bcc13f2ede53 |
| Source of Spectrum |
QE-22-SM4-1a (DOI: 10.1002/chem.201600273) |
| Thin-Layer Chromatography |
0.60 (petroleum ether/EtOAc, 5:1) |
| Wiley ID |
1904881 |
