| SpectraBase Compound ID | 7yPQLAOnazO |
|---|---|
| InChI | InChI=1S/C21H25FN2O/c1-17(25)24(21-9-5-8-19(22)16-21)20-11-14-23(15-12-20)13-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15H2,1H3 |
| InChIKey | ALHJAWKAFTYWPM-UHFFFAOYSA-N |
| Mol Weight | 340.44 g/mol |
| Molecular Formula | C21H25FN2O |
| Exact Mass | 340.195092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1oOjMou3EPV |
|---|---|
| Name | 3-Fluorofentanyl acetyl analog in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.195091595 u |
| Formula | C21H25FN2O |
| InChI | InChI=1S/C21H25FN2O/c1-17(25)24(21-9-5-8-19(22)16-21)20-11-14-23(15-12-20)13-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15H2,1H3 |
| InChIKey | ALHJAWKAFTYWPM-UHFFFAOYSA-N |
| Molecular Weight | 340.442 g/mol |
| SMILES | C1CN(CCC1N(C(C)=O)C1=CC=CC(=C1)F)CCC1=CC=CC=C1 |