| SpectraBase Compound ID | 3UAcSp3kmuS |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c1-12(20)18-10-5-11-21-16-9-4-8-15-17(16)13-6-2-3-7-14(13)19-15/h2-10,19H,11H2,1H3,(H,18,20)/b10-5+ |
| InChIKey | JCGJLRKXRGUNSA-BJMVGYQFSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRr6VjNWTGX |
|---|---|
| Name | Carvedilol artifact ac P781 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c1-12(20)18-10-5-11-21-16-9-4-8-15-17(16)13-6-2-3-7-14(13)19-15/h2-10,19H,11H2,1H3,(H,18,20)/b10-5+ |
| InChIKey | JCGJLRKXRGUNSA-BJMVGYQFSA-N |
| SMILES | C1=2C=CC=C(C2C2=CC=CC=C2N1)OC\C=C\NC(C)=O |