| SpectraBase Spectrum ID |
7H8AgTQM0YL |
| Name |
(2R,3S)-3-Acetyl-2-(trifluoromethyl)aziridine-1,2-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.082407039 u |
| Formula |
C11H14F3NO5 |
| InChI |
InChI=1S/C11H14F3NO5/c1-4-19-8(17)10(11(12,13)14)7(6(3)16)15(10)9(18)20-5-2/h7H,4-5H2,1-3H3/t7-,10-,15?/m1/s1 |
| InChIKey |
CXMRNXFOIDSQMS-QXAUTTJKSA-N |
| Molecular Weight |
297.230 g/mol |
| SMILES |
[C@]1(N(C(=O)OCC)[C@@]1(C(=O)C)[H])(C(F)(F)F)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95175 |
