| SpectraBase Compound ID | 4nb4STgHBiw |
|---|---|
| InChI | InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 |
| InChIKey | VHYCDWMUTMEGQY-UHFFFAOYSA-N |
| Mol Weight | 325.45 g/mol |
| Molecular Formula | C18H31NO4 |
| Exact Mass | 325.225308 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DjpvYz2mw9q |
|---|---|
| Name | Bisoprolol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.225308478 u |
| Formula | C18H31NO4 |
| InChI | InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 |
| InChIKey | VHYCDWMUTMEGQY-UHFFFAOYSA-N |
| SMILES | N(CC(COC=1C=CC(=CC1)COCCOC(C)C)O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919918 |