| SpectraBase Compound ID | 4nnVXQo12tD |
|---|---|
| InChI | InChI=1S/C13H7F7N2O/c14-11(15,12(16,17)13(18,19)20)10(23)22-8-5-7-3-1-2-4-9(7)21-6-8/h1-6H,(H,22,23) |
| InChIKey | YFAMSPGMTYHCKZ-UHFFFAOYSA-N |
| Mol Weight | 340.2 g/mol |
| Molecular Formula | C13H7F7N2O |
| Exact Mass | 340.04466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uawEKHsob3 |
|---|---|
| Name | 3-Aminoquinoline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.044659993 u |
| Formula | C13H7F7N2O |
| InChI | InChI=1S/C13H7F7N2O/c14-11(15,12(16,17)13(18,19)20)10(23)22-8-5-7-3-1-2-4-9(7)21-6-8/h1-6H,(H,22,23) |
| InChIKey | YFAMSPGMTYHCKZ-UHFFFAOYSA-N |
| Molecular Weight | 340.201 g/mol |
| SMILES | C1=NC2=C(C=C1NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C2 |