| SpectraBase Compound ID | 39Nsn3YArkm |
|---|---|
| InChI | InChI=1S/C13H10F7NO2/c1-7(9(22)8-5-3-2-4-6-8)21-10(23)11(14,15)12(16,17)13(18,19)20/h2-7H,1H3,(H,21,23) |
| InChIKey | KYZSGNKBNZDXSR-UHFFFAOYSA-N |
| Mol Weight | 345.22 g/mol |
| Molecular Formula | C13H10F7NO2 |
| Exact Mass | 345.059976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jNdtQ2xoer |
|---|---|
| Name | Cathinone hfba derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.059975705 u |
| Formula | C13H10F7NO2 |
| InChI | InChI=1S/C13H10F7NO2/c1-7(9(22)8-5-3-2-4-6-8)21-10(23)11(14,15)12(16,17)13(18,19)20/h2-7H,1H3,(H,21,23) |
| InChIKey | KYZSGNKBNZDXSR-UHFFFAOYSA-N |
| Molecular Weight | 345.217 g/mol |
| SMILES | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)NC(C)C(=O)C1=CC=CC=C1 |