| SpectraBase Compound ID | J0CIsg9cZRm |
|---|---|
| InChI | InChI=1S/C25H30N2O/c28-25(22-11-7-8-12-22)27(23-13-5-2-6-14-23)24-16-19-26(20-17-24)18-15-21-9-3-1-4-10-21/h1-6,9-11,13-14,24H,7-8,12,15-20H2 |
| InChIKey | SYSQDIUBJXIHAM-UHFFFAOYSA-N |
| Mol Weight | 374.53 g/mol |
| Molecular Formula | C25H30N2O |
| Exact Mass | 374.235814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RtUth3vvGj |
|---|---|
| Name | Cyclopentenyl fentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.235813593 u |
| Formula | C25H30N2O |
| InChI | InChI=1S/C25H30N2O/c28-25(22-11-7-8-12-22)27(23-13-5-2-6-14-23)24-16-19-26(20-17-24)18-15-21-9-3-1-4-10-21/h1-6,9-11,13-14,24H,7-8,12,15-20H2 |
| InChIKey | SYSQDIUBJXIHAM-UHFFFAOYSA-N |
| Molecular Weight | 374.528 g/mol |
| SMILES | C1N(CCC(C1)N(C(=O)C1=CCCC1)C=1C=CC=CC1)CCC=1C=CC=CC1 |