| SpectraBase Compound ID | nUKYPNR9R9 |
|---|---|
| InChI | InChI=1S/C17H22N2O4/c1-3-15(21)19(14-7-5-4-6-8-14)17(16(22)23-2)9-11-18(13-20)12-10-17/h4-8,13H,3,9-12H2,1-2H3 |
| InChIKey | KWPSCXBHZZUALL-UHFFFAOYSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C17H22N2O4 |
| Exact Mass | 318.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIQG1Thw3VJ |
|---|---|
| Name | Norcarfentanil form |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.157957192 u |
| Formula | C17H22N2O4 |
| InChI | InChI=1S/C17H22N2O4/c1-3-15(21)19(14-7-5-4-6-8-14)17(16(22)23-2)9-11-18(13-20)12-10-17/h4-8,13H,3,9-12H2,1-2H3 |
| InChIKey | KWPSCXBHZZUALL-UHFFFAOYSA-N |
| Molecular Weight | 318.373 g/mol |
| SMILES | C1(N(C=2C=CC=CC2)C(CC)=O)(C(OC)=O)CCN(CC1)C=O |