| SpectraBase Compound ID | 3jF78T47KGV |
|---|---|
| InChI | InChI=1S/C10H6F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-2-1-3-6(19)4-5/h1-4,19H,(H,18,20) |
| InChIKey | UPKMJNWKBUEYAL-UHFFFAOYSA-N |
| Mol Weight | 305.15 g/mol |
| Molecular Formula | C10H6F7NO2 |
| Exact Mass | 305.028676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcFJtsVCbIE |
|---|---|
| Name | 3-Aminophenol, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.028675576 u |
| Formula | C10H6F7NO2 |
| InChI | InChI=1S/C10H6F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-2-1-3-6(19)4-5/h1-4,19H,(H,18,20) |
| InChIKey | UPKMJNWKBUEYAL-UHFFFAOYSA-N |
| Molecular Weight | 305.152 g/mol |
| SMILES | C1=C(C=CC=C1O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |