| SpectraBase Compound ID | 9KNAMwHOZOU |
|---|---|
| InChI | InChI=1S/C22H25ClN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h2-11,21H,1,12-17H2 |
| InChIKey | CSFZVPAQJHDOCD-UHFFFAOYSA-N |
| Mol Weight | 368.91 g/mol |
| Molecular Formula | C22H25ClN2O |
| Exact Mass | 368.165541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JuaAUep86dV |
|---|---|
| Name | para-Chloro acrylfentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.165541132 u |
| Formula | C22H25ClN2O |
| InChI | InChI=1S/C22H25ClN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h2-11,21H,1,12-17H2 |
| InChIKey | CSFZVPAQJHDOCD-UHFFFAOYSA-N |
| Molecular Weight | 368.908 g/mol |
| SMILES | C1N(CCC(C1)N(C(=O)C=C)C=1C=CC(=CC1)Cl)CCC=1C=CC=CC1 |