| SpectraBase Spectrum ID |
BgRiSEpF4mb |
| Name |
5-Cyclopropyl-5-(1-methyl-1H-indol-3-yl)-5-phenyl-2-(thiophen-2-yl)pent-3-yn-2-ol |
| Appearance |
Yellow foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H25NOS |
| GC Column |
HP-5MS |
| InChI |
InChI=1S/C27H25NOS/c1-26(29,25-13-8-18-30-25)16-17-27(21-14-15-21,20-9-4-3-5-10-20)23-19-28(2)24-12-7-6-11-22(23)24/h3-13,18-19,21,29H,14-15H2,1-2H3 |
| InChIKey |
XJWJKYNHCGSJCZ-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502174 |
| Molecular Weight |
411.563 g/mol |
| Quality |
29 |
| SMILES |
OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)(C=1SC=CC1)C |
| SPLASH |
splash10-0006-0609000000-259f86da6813b3cb23cd |
| Sample Comments |
Mixture of diastereoisomers (1:1) |
| Source of Spectrum |
QE-21-SM4-1e (DOI: 10.1002/chem.201502174) |
| Thin-Layer Chromatography |
0.2 (hexane/Et2O, 4:1) |
| Wiley ID |
1909226 |
