| SpectraBase Spectrum ID |
Bdqrv2JdM59 |
| Name |
Toliprolol-m (ho-) -H2O 2ac P938 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.162708221 u |
| Formula |
C17H23NO4 |
| InChI |
InChI=1S/C17H23NO4/c1-12(2)18(14(4)19)9-6-10-21-16-7-8-17(13(3)11-16)22-15(5)20/h6-9,11-12H,10H2,1-5H3/b9-6+ |
| InChIKey |
DFBLVSDNHQYQGQ-RMKNXTFCSA-N |
| SMILES |
C=1C(OC\C=C\N(C(C)C)C(=O)C)=CC(=C(OC(=O)C)C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929225 |
