| SpectraBase Compound ID | 4Ihct9LTdSI |
|---|---|
| InChI | InChI=1S/C4H6F3NO2.C2HF3O2/c5-4(6,7)3(9)10-2-1-8;3-2(4,5)1(6)7/h1-2,8H2;(H,6,7) |
| InChIKey | NXMSWPRGFNSNFE-UHFFFAOYSA-N |
| Mol Weight | 271.12 g/mol |
| Molecular Formula | C6H7F6NO4 |
| Exact Mass | 271.027927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpgJ3Kzhh6H |
|---|---|
| Name | 2-Trifluoroacetoxyethylamine trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.027926683 u |
| Formula | C6H7F6NO4 |
| InChI | InChI=1S/C4H6F3NO2.C2HF3O2/c5-4(6,7)3(9)10-2-1-8;3-2(4,5)1(6)7/h1-2,8H2;(H,6,7) |
| InChIKey | NXMSWPRGFNSNFE-UHFFFAOYSA-N |
| Molecular Weight | 271.115 g/mol |
| SMILES | C(=O)(C(F)(F)F)[O-].C(COC(=O)C(F)(F)F)[NH3+] |