| SpectraBase Compound ID | 31Yya858hus |
|---|---|
| InChI | InChI=1S/C5H8F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3 |
| InChIKey | KJHZGOZHYMHJMQ-UHFFFAOYSA-N |
| Mol Weight | 235.18 g/mol |
| Molecular Formula | C5H8F3NO4S |
| Exact Mass | 235.012613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWIRxLghm4q |
|---|---|
| Name | 2-(Trifluoromethylsulfonylamino)acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.012613401 u |
| Formula | C5H8F3NO4S |
| InChI | InChI=1S/C5H8F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3 |
| InChIKey | KJHZGOZHYMHJMQ-UHFFFAOYSA-N |
| Molecular Weight | 235.177 g/mol |
| SMILES | C(S(NCC(=O)OCC)(=O)=O)(F)(F)F |