| SpectraBase Spectrum ID |
3UnKo8MgaDQ |
| Name |
5-Cyclopropyl-5-(1-methyl-1H-indol-3-yl)-2,5-diphenylpent-3-yn-2-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/c1-28(31,22-11-5-3-6-12-22)19-20-29(24-17-18-24,23-13-7-4-8-14-23)26-21-30(2)27-16-10-9-15-25(26)27/h3-16,21,24,31H,17-18H2,1-2H3 |
| InChIKey |
SGXQXWCQUIWPQP-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502174 |
| Molecular Weight |
405.541 g/mol |
| Quality |
27 |
| Reported Formula |
C29H27NO |
| SMILES |
OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)(C1=CC=CC=C1)C |
| SPLASH |
splash10-052v-0309000000-d6fb80f063a88b33fa75 |
| Sample Comments |
Mixture of diastereoisomers (1:1) |
| Source of Spectrum |
QE-21-SM2-1a (DOI: 10.1002/chem.201502174) |
| Thin-Layer Chromatography |
0.16 (hexane/Et2O, 3:1) |
| Wiley ID |
1909224 |
