| SpectraBase Spectrum ID |
1YgQbbDBbM |
| Name |
(E)-6-cyclopropyl-1-(4-methoxyphenyl)-6-(1-methyl-1H-indol-3-yl)-6-phenylhex-1-en-4-yn-3-ol |
| Appearance |
White foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.219829176 u |
| Formula |
C31H29NO2 |
| GC Column |
HP-5MS |
| InChI |
InChI=1S/C31H29NO2/c1-32-22-29(28-10-6-7-11-30(28)32)31(25-15-16-25,24-8-4-3-5-9-24)21-20-26(33)17-12-23-13-18-27(34-2)19-14-23/h3-14,17-19,22,25-26,33H,15-16H2,1-2H3/b17-12+ |
| InChIKey |
APRFBZCTTHPEPS-SFQUDFHCSA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502174 |
| Molecular Weight |
447.578 g/mol |
| Reported Formula |
C31H29NO2 |
| SMILES |
OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)\C=C\C1=CC=C(C=C1)OC |
| SPLASH |
splash10-056s-0004900000-9c583f3035ee26363be7 |
| Sample Comments |
Mixture of diastereoisomers (1:1) |
| Source of Spectrum |
QE-21-SM8-1o (DOI: 10.1002/chem.201502174) |
| Thin-Layer Chromatography |
0.20 (hexane/Et2O, 2:1) |
| Wiley ID |
1909233 |
