| SpectraBase Compound ID | F76heyfmZpe |
|---|---|
| InChI | InChI=1S/C22H28N2O/c1-18-7-6-10-22(17-18)24(19(2)25)21-12-15-23(16-13-21)14-11-20-8-4-3-5-9-20/h3-10,17,21H,11-16H2,1-2H3 |
| InChIKey | SZZZZTBKJBQTDR-UHFFFAOYSA-N |
| Mol Weight | 336.48 g/mol |
| Molecular Formula | C22H28N2O |
| Exact Mass | 336.220164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tC4Mo598Vt |
|---|---|
| Name | Meta-methyl acetyl fentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.220163529 u |
| Formula | C22H28N2O |
| InChI | InChI=1S/C22H28N2O/c1-18-7-6-10-22(17-18)24(19(2)25)21-12-15-23(16-13-21)14-11-20-8-4-3-5-9-20/h3-10,17,21H,11-16H2,1-2H3 |
| InChIKey | SZZZZTBKJBQTDR-UHFFFAOYSA-N |
| Molecular Weight | 336.479 g/mol |
| SMILES | C1N(CCC(C1)N(C(=O)C)C=1C=CC=C(C1)C)CCC=1C=CC=CC1 |