| SpectraBase Spectrum ID |
7AegmOymoEz |
| Name |
1-(2-(Phenylethynyl))-2-(trifluoromethyl)aziridine |
| Appearance |
Off-white crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.092183879 u |
| Formula |
C17H12F3N |
| InChI |
InChI=1S/C17H12F3N/c18-17(19,20)16-12-21(16)15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,16H,12H2 |
| InChIKey |
HQHHUXYHANRLCW-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
287.285 g/mol |
| Quality |
293 |
| Reported Formula |
C17H13F3N |
| SMILES |
C1(=CC=CC=C1C#CC1=CC=CC=C1)N1C(C1)C(F)(F)F |
| SPLASH |
splash10-014r-2690000000-b562861a1a998e13c627 |
| Source of Spectrum |
ACI-57-SM17-3c (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.50 (hexanes/ethyl acetate, 10:1) |
| Wiley ID |
1891039 |
