| SpectraBase Compound ID | 7iL4qoepLQN |
|---|---|
| InChI | InChI=1S/C13H11F6NO2/c1-8(7-9-5-3-2-4-6-9)20(10(21)12(14,15)16)11(22)13(17,18)19/h2-6,8H,7H2,1H3 |
| InChIKey | QVUHWMFTGVILFH-UHFFFAOYSA-N |
| Mol Weight | 327.23 g/mol |
| Molecular Formula | C13H11F6NO2 |
| Exact Mass | 327.069398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rKDBlJxRB6 |
|---|---|
| Name | Amphetamine 2tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.069397574 u |
| Formula | C13H11F6NO2 |
| InChI | InChI=1S/C13H11F6NO2/c1-8(7-9-5-3-2-4-6-9)20(10(21)12(14,15)16)11(22)13(17,18)19/h2-6,8H,7H2,1H3 |
| InChIKey | QVUHWMFTGVILFH-UHFFFAOYSA-N |
| Molecular Weight | 327.226 g/mol |
| SMILES | C(N(C(C(F)(F)F)=O)C(CC=1C=CC=CC1)C)(C(F)(F)F)=O |