| SpectraBase Compound ID | 34s78ae41jN |
|---|---|
| InChI | InChI=1S/C13H12F3NO4/c1-2-20-11(18)10(13(14,15)16)17-12(19)21-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/b17-10+ |
| InChIKey | MSAOLBKMAUXBHC-LICLKQGHSA-N |
| Mol Weight | 303.24 g/mol |
| Molecular Formula | C13H12F3NO4 |
| Exact Mass | 303.071842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Furz2BNQ8vI |
|---|---|
| Name | 2-Benzyloxycarbonylimino-3,3,3-trifluoropropionic-acid-ethylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.071842355 u |
| Formula | C13H12F3NO4 |
| InChI | InChI=1S/C13H12F3NO4/c1-2-20-11(18)10(13(14,15)16)17-12(19)21-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/b17-10+ |
| InChIKey | MSAOLBKMAUXBHC-LICLKQGHSA-N |
| Molecular Weight | 303.237 g/mol |
| SMILES | C(=O)(OCC)\C(C(F)(F)F)=N/C(=O)OCC1=CC=CC=C1 |