| SpectraBase Compound ID | AVjANCb3mD9 |
|---|---|
| InChI | InChI=1S/C16H16F7NO2/c1-4-11(12(25)10-7-5-9(2)6-8-10)24(3)13(26)14(17,18)15(19,20)16(21,22)23/h5-8,11H,4H2,1-3H3 |
| InChIKey | FYPLEIJPDJBUBV-UHFFFAOYSA-N |
| Mol Weight | 387.3 g/mol |
| Molecular Formula | C16H16F7NO2 |
| Exact Mass | 387.106926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xPMQRJS0aY |
|---|---|
| Name | 4-Methylbuphedrone hfb |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.106925898 u |
| Formula | C16H16F7NO2 |
| InChI | InChI=1S/C16H16F7NO2/c1-4-11(12(25)10-7-5-9(2)6-8-10)24(3)13(26)14(17,18)15(19,20)16(21,22)23/h5-8,11H,4H2,1-3H3 |
| InChIKey | FYPLEIJPDJBUBV-UHFFFAOYSA-N |
| Molecular Weight | 387.298 g/mol |
| SMILES | C(C(C(F)(F)F)(F)F)(C(N(C(C(C=1C=CC(=CC1)C)=O)CC)C)=O)(F)F |