| SpectraBase Compound ID | 6ghTtfrIMWw |
|---|---|
| InChI | InChI=1S/C25H34N2O/c1-2-3-6-15-25(28)27(23-13-9-5-10-14-23)24-17-20-26(21-18-24)19-16-22-11-7-4-8-12-22/h4-5,7-14,24H,2-3,6,15-21H2,1H3 |
| InChIKey | PWKBFVCAQVONRR-UHFFFAOYSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C25H34N2O |
| Exact Mass | 378.267114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5nUBNGijrRQ |
|---|---|
| Name | Hexanoyl fentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.267113722 u |
| Formula | C25H34N2O |
| InChI | InChI=1S/C25H34N2O/c1-2-3-6-15-25(28)27(23-13-9-5-10-14-23)24-17-20-26(21-18-24)19-16-22-11-7-4-8-12-22/h4-5,7-14,24H,2-3,6,15-21H2,1H3 |
| InChIKey | PWKBFVCAQVONRR-UHFFFAOYSA-N |
| Molecular Weight | 378.560 g/mol |
| SMILES | C1N(CCC(C1)N(C(CCCCC)=O)C=1C=CC=CC1)CCC=1C=CC=CC1 |