| SpectraBase Spectrum ID |
3uByyS5OJmt |
| Name |
Methyl 3-((2-trifluoromethyl)aziridine-1-yl)-benzoate |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.066363053 u |
| Formula |
C11H10F3NO2 |
| InChI |
InChI=1S/C11H10F3NO2/c1-17-10(16)7-3-2-4-8(5-7)15-6-9(15)11(12,13)14/h2-5,9H,6H2,1H3 |
| InChIKey |
FSSRQSFQZPTSLU-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
245.201 g/mol |
| Quality |
434 |
| Reported Formula |
C11H11F3NO2 |
| SMILES |
C1(=CC=CC(=C1)C(=O)OC)N1C(C1)C(F)(F)F |
| SPLASH |
splash10-00kb-4980000000-7d449ba617551dc901cb |
| Source of Spectrum |
ACI-57-SM21-3i (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.60 (hexanes/ethyl acetate, 3:1) |
| Wiley ID |
1891044 |
