| SpectraBase Compound ID | KS8InC9AB42 |
|---|---|
| InChI | InChI=1S/C24H32N2O/c1-20(2)19-24(27)26(22-11-7-4-8-12-22)23-14-17-25(18-15-23)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3 |
| InChIKey | HQXKBEMWVAZFPK-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C24H32N2O |
| Exact Mass | 364.251464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RffRb1OR0a |
|---|---|
| Name | Isovaleryl fentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.251463657 u |
| Formula | C24H32N2O |
| InChI | InChI=1S/C24H32N2O/c1-20(2)19-24(27)26(22-11-7-4-8-12-22)23-14-17-25(18-15-23)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3 |
| InChIKey | HQXKBEMWVAZFPK-UHFFFAOYSA-N |
| Molecular Weight | 364.533 g/mol |
| SMILES | C1N(CCC(C1)N(C(=O)CC(C)C)C=1C=CC=CC1)CCC=1C=CC=CC1 |