| SpectraBase Compound ID | CqlHHKZemYn |
|---|---|
| InChI | InChI=1S/C8H6F5NO/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h1-2,14H2 |
| InChIKey | NLGUSCKEXHHEEJ-UHFFFAOYSA-N |
| Mol Weight | 227.13 g/mol |
| Molecular Formula | C8H6F5NO |
| Exact Mass | 227.036955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACtekZCsbUr |
|---|---|
| Name | Pentafluorophenol, 2-aminoethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.036954631 u |
| Formula | C8H6F5NO |
| InChI | InChI=1S/C8H6F5NO/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h1-2,14H2 |
| InChIKey | NLGUSCKEXHHEEJ-UHFFFAOYSA-N |
| Molecular Weight | 227.134 g/mol |
| SMILES | NCCOc1c(F)c(c(c(c1F)F)F)F |