| SpectraBase Spectrum ID |
8ytfSMvXvyc |
| Name |
1-(4-Bromophenyl)-4-cyclopropyl-4-(1-methyl-1H-indol-3-yl)-4-phenylbut-2-yn-1-ol |
| Appearance |
White foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.104127396 u |
| Formula |
C28H24BrNO |
| GC Column |
HP-5MS |
| InChI |
InChI=1S/C28H24BrNO/c1-30-19-25(24-9-5-6-10-26(24)30)28(22-13-14-22,21-7-3-2-4-8-21)18-17-27(31)20-11-15-23(29)16-12-20/h2-12,15-16,19,22,27,31H,13-14H2,1H3 |
| InChIKey |
MPBRXNINBQUHEY-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502174 |
| Molecular Weight |
470.410 g/mol |
| SMILES |
OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)C1=CC=C(C=C1)Br |
| SPLASH |
splash10-0udr-0230900000-efe6fcb400b6b192b823 |
| Sample Comments |
Mixture of diastereoisomers (1:1) |
| Source of Spectrum |
QE-21-SM7-1m (DOI: 10.1002/chem.201502174) |
| Thin-Layer Chromatography |
0.20 (hexane/Et2O, 2:1) |
| Wiley ID |
1909232 |
