| SpectraBase Spectrum ID |
3kDnRKmBD7D |
| Name |
2-[(4-Trifluoromethylphenyl)ethynyl]-1-(pyrimidin-2-yl)-1H-indole |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.098331887 u |
| Formula |
C21H12F3N3 |
| InChI |
InChI=1S/C21H12F3N3/c22-21(23,24)17-9-6-15(7-10-17)8-11-18-14-16-4-1-2-5-19(16)27(18)20-25-12-3-13-26-20/h1-7,9-10,12-14H |
| InChIKey |
GNDSLXZZHINRNJ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201611118 |
| Molecular Weight |
363.343 g/mol |
| Quality |
234 |
| Reported Formula |
C21H12N3F3 |
| SMILES |
C1=CC2=C(C=C1)N(C(=C2)C#CC1=CC=C(C=C1)C(F)(F)F)C1=NC=CC=N1 |
| SPLASH |
splash10-03di-1019000000-bab8b274cd94f25c0df8 |
| Source of Spectrum |
ACI-56-SM22-5bc (DOI: 10.1002/anie.201611118) |
| Wiley ID |
1895480 |
![2-[(4-Trifluoromethylphenyl)ethynyl]-1-(pyrimidin-2-yl)-1H-indole](/api/spectrum/3kDnRKmBD7D/structure.png?h=300&w=458 "2-[(4-Trifluoromethylphenyl)ethynyl]-1-(pyrimidin-2-yl)-1H-indole")
