| SpectraBase Spectrum ID |
LluY1aJjQKZ |
| Name |
Ethyl 3-phenyl-(2S)-((2R)-(trifluoromethyl)aziridin-1-yl)propanoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.113313246 u |
| Formula |
C14H16F3NO2 |
| InChI |
InChI=1S/C14H16F3NO2/c1-2-20-13(19)11(8-10-6-4-3-5-7-10)18-9-12(18)14(15,16)17/h3-7,11-12H,2,8-9H2,1H3/t11-,12+,18?/m0/s1 |
| InChIKey |
QHJXVWQTOYEYDE-AADFBRNSSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
287.282 g/mol |
| Quality |
96 |
| Reported Formula |
C14H17F3NO2 |
| SMILES |
C1=C(C=CC=C1)C[C@](N1C[C@@]1(C(F)(F)F)[H])(C(OCC)=O)[H] |
| SPLASH |
splash10-01ox-9340000000-7b389ebea461d848b129 |
| Source of Spectrum |
ACI-57-SM37-3ai (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.52 (hexanes/EtOAc, 5:1) |
| Wiley ID |
1891032 |
