| SpectraBase Compound ID | BJmVcWYVYz0 |
|---|---|
| InChI | InChI=1S/C7H10F3NO3/c8-7(9,10)6(14)11-4-2-1-3-5(12)13/h1-4H2,(H,11,14)(H,12,13) |
| InChIKey | JROSMTZIKFXOMM-UHFFFAOYSA-N |
| Mol Weight | 213.16 g/mol |
| Molecular Formula | C7H10F3NO3 |
| Exact Mass | 213.061278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1332bEZiwa |
|---|---|
| Name | Pentanoic acid, 5-trifluoroacetamino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.061277672 u |
| Formula | C7H10F3NO3 |
| InChI | InChI=1S/C7H10F3NO3/c8-7(9,10)6(14)11-4-2-1-3-5(12)13/h1-4H2,(H,11,14)(H,12,13) |
| InChIKey | JROSMTZIKFXOMM-UHFFFAOYSA-N |
| Molecular Weight | 213.156 g/mol |
| SMILES | C(CCCCNC(C(F)(F)F)=O)(O)=O |