| SpectraBase Spectrum ID |
2OJSufLZZVl |
| Name |
2-Phenyl-6-(2-(trifluoromethyl)aziridin-1-yl)-4H-chromen-4-one |
| Appearance |
White solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.082013117 u |
| Formula |
C18H12F3NO2 |
| InChI |
InChI=1S/C18H12F3NO2/c19-18(20,21)17-10-22(17)12-6-7-15-13(8-12)14(23)9-16(24-15)11-4-2-1-3-5-11/h1-9,17H,10H2 |
| InChIKey |
MERNTASPDLOTMK-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
331.294 g/mol |
| Quality |
353 |
| Reported Formula |
C18H13F3NO2 |
| SMILES |
C1(=CC=CC=C1)C=1OC2=C(C(C1)=O)C=C(C=C2)N1C(C1)C(F)(F)F |
| SPLASH |
splash10-0f89-4898000000-d1062fe1c4c2d7266818 |
| Source of Spectrum |
ACI-57-SM32-3aa (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.53 (hexanes/ethyl acetate, 1:1) |
| Wiley ID |
1891024 |
