| SpectraBase Spectrum ID |
EApEKM5hR4j |
| Name |
4-Cyclopropyl-4-(1-methyl-1H-indol-3-yl)-4-phenyl-1-(p-tolyl)but-2-yn-1-ol |
| Appearance |
White foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.209264492 u |
| Formula |
C29H27NO |
| GC Column |
HP-5MS |
| InChI |
InChI=1S/C29H27NO/c1-21-12-14-22(15-13-21)28(31)18-19-29(24-16-17-24,23-8-4-3-5-9-23)26-20-30(2)27-11-7-6-10-25(26)27/h3-15,20,24,28,31H,16-17H2,1-2H3 |
| InChIKey |
NRVQTEQPOBWSKJ-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502174 |
| Molecular Weight |
405.541 g/mol |
| SMILES |
OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)C1=CC=C(C=C1)C |
| SPLASH |
splash10-001i-0090200000-35b7e0b481ade8956c0f |
| Sample Comments |
Mixture of diastereoisomers (1:1) |
| Source of Spectrum |
QE-21-SM6-1l (DOI: 10.1002/chem.201502174) |
| Thin-Layer Chromatography |
0.11 (hexane/Et2O, 3:1) |
| Wiley ID |
1909231 |
