| SpectraBase Compound ID | JqYvSEE60TQ |
|---|---|
| InChI | InChI=1S/C19H31NO4/c1-15(2)20-11-19(24-14-20)13-23-18-7-5-17(6-8-18)12-21-9-10-22-16(3)4/h5-8,15-16,19H,9-14H2,1-4H3 |
| InChIKey | OCEBUFVYUICXJX-UHFFFAOYSA-N |
| Mol Weight | 337.46 g/mol |
| Molecular Formula | C19H31NO4 |
| Exact Mass | 337.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8wO095KMSj |
|---|---|
| Name | Bisoprolol-A (CH2O,-H2O) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.225308478 u |
| Formula | C19H31NO4 |
| InChI | InChI=1S/C19H31NO4/c1-15(2)20-11-19(24-14-20)13-23-18-7-5-17(6-8-18)12-21-9-10-22-16(3)4/h5-8,15-16,19H,9-14H2,1-4H3 |
| InChIKey | OCEBUFVYUICXJX-UHFFFAOYSA-N |
| Molecular Weight | 337.460 g/mol |
| SMILES | C1(CN(CO1)C(C)C)COC=1C=CC(=CC1)COCCOC(C)C |