| SpectraBase Compound ID | 3UQgFGOTube |
|---|---|
| InChI | InChI=1S/C8H9F6NO3/c9-7(10,11)5(16)15-3-1-2-4-18-6(17)8(12,13)14/h1-4H2,(H,15,16) |
| InChIKey | ZBXKMOPERMOKIJ-UHFFFAOYSA-N |
| Mol Weight | 281.15 g/mol |
| Molecular Formula | C8H9F6NO3 |
| Exact Mass | 281.048662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ymGWXTWLNf |
|---|---|
| Name | 4-Amino-1-butanol, N,o-bis(trifluoroacetyl) deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.048662129 u |
| Formula | C8H9F6NO3 |
| InChI | InChI=1S/C8H9F6NO3/c9-7(10,11)5(16)15-3-1-2-4-18-6(17)8(12,13)14/h1-4H2,(H,15,16) |
| InChIKey | ZBXKMOPERMOKIJ-UHFFFAOYSA-N |
| Molecular Weight | 281.154 g/mol |
| SMILES | C(NC(C(F)(F)F)=O)CCCOC(C(F)(F)F)=O |