| SpectraBase Compound ID | 2TjhHPnt6Ov |
|---|---|
| InChI | InChI=1S/C22H27ClN2O/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/h3-11,21H,2,12-17H2,1H3 |
| InChIKey | CUGMWAHBYRKBKL-UHFFFAOYSA-N |
| Mol Weight | 370.92 g/mol |
| Molecular Formula | C22H27ClN2O |
| Exact Mass | 370.181191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6reuar9Pszo |
|---|---|
| Name | para-Chlorofentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.181191196 u |
| Formula | C22H27ClN2O |
| InChI | InChI=1S/C22H27ClN2O/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/h3-11,21H,2,12-17H2,1H3 |
| InChIKey | CUGMWAHBYRKBKL-UHFFFAOYSA-N |
| Molecular Weight | 370.924 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)N(C(CC)=O)C1CCN(CC1)CCC1=CC=CC=C1 |