| SpectraBase Compound ID | ACiay9kiuvc |
|---|---|
| InChI | InChI=1S/C8H12F3NO3/c1-2-3-4-15-6(13)5-12-7(14)8(9,10)11/h2-5H2,1H3,(H,12,14) |
| InChIKey | ZTNMNXKYGGHKLS-UHFFFAOYSA-N |
| Mol Weight | 227.18 g/mol |
| Molecular Formula | C8H12F3NO3 |
| Exact Mass | 227.076928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCGe0EOZ5d6 |
|---|---|
| Name | Glycine, N-(trifluoroacetyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.076927736 u |
| Formula | C8H12F3NO3 |
| InChI | InChI=1S/C8H12F3NO3/c1-2-3-4-15-6(13)5-12-7(14)8(9,10)11/h2-5H2,1H3,(H,12,14) |
| InChIKey | ZTNMNXKYGGHKLS-UHFFFAOYSA-N |
| Molecular Weight | 227.183 g/mol |
| SMILES | C(NC(C(F)(F)F)=O)C(OCCCC)=O |