| SpectraBase Compound ID | 3WCerSfAG5V |
|---|---|
| InChI | InChI=1S/C21H25FN2O/c1-17(25)24(20-9-7-19(22)8-10-20)21-12-15-23(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3 |
| InChIKey | OXKSBDHHJOPFAH-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 | Ez6Hdd1KBSM |
|---|---|
| Name | 4-Fluoroacetylfentanyl |
| 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(20-9-7-19(22)8-10-20)21-12-15-23(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3 |
| InChIKey | OXKSBDHHJOPFAH-UHFFFAOYSA-N |
| Molecular Weight | 340.442 g/mol |
| SMILES | C1N(CCC(C1)N(C(C)=O)C=1C=CC(=CC1)F)CCC=1C=CC=CC1 |