| SpectraBase Compound ID | IqIah8cWpk6 |
|---|---|
| InChI | InChI=1S/C21H21NO5/c1-15(23)26-19-8-3-17(4-9-19)7-12-21(25)22-14-13-18-5-10-20(11-6-18)27-16(2)24/h3-12H,13-14H2,1-2H3,(H,22,25)/b12-7+ |
| InChIKey | KSUFYXBXUWEHQP-KPKJPENVSA-N |
| Mol Weight | 367.4 g/mol |
| Molecular Formula | C21H21NO5 |
| Exact Mass | 367.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwPUt2ukAGB |
|---|---|
| Name | Paprazine, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.141972775 u |
| Formula | C21H21NO5 |
| InChI | InChI=1S/C21H21NO5/c1-15(23)26-19-8-3-17(4-9-19)7-12-21(25)22-14-13-18-5-10-20(11-6-18)27-16(2)24/h3-12H,13-14H2,1-2H3,(H,22,25)/b12-7+ |
| InChIKey | KSUFYXBXUWEHQP-KPKJPENVSA-N |
| Molecular Weight | 367.401 g/mol |
| SMILES | C(\C=C\C1=CC=C(C=C1)OC(=O)C)(=O)NCCC1=CC=C(C=C1)OC(=O)C |