| SpectraBase Compound ID | Lv2xlMwmEJr |
|---|---|
| InChI | InChI=1S/C20H25NO5/c1-21(23)8-7-14-11-19(25-3)17(22)12-15(14)16(21)9-13-5-6-18(24-2)20(10-13)26-4/h5-6,10-12,16,22H,7-9H2,1-4H3 |
| InChIKey | WYHBVXMHELTJFR-UHFFFAOYSA-N |
| Mol Weight | 359.42 g/mol |
| Molecular Formula | C20H25NO5 |
| Exact Mass | 359.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbMRFFOrIht |
|---|---|
| Name | (cis)-N-Oxycodamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.173272904 u |
| Formula | C20H25NO5 |
| InChI | InChI=1S/C20H25NO5/c1-21(23)8-7-14-11-19(25-3)17(22)12-15(14)16(21)9-13-5-6-18(24-2)20(10-13)26-4/h5-6,10-12,16,22H,7-9H2,1-4H3 |
| InChIKey | WYHBVXMHELTJFR-UHFFFAOYSA-N |
| Molecular Weight | 359.422 g/mol |
| SMILES | C1([N+](CCC2=CC(=C(C=C12)O)OC)([O-])C)CC1=CC(OC)=C(C=C1)OC |