| SpectraBase Spectrum ID |
4NNcJjGvkWU |
| Name |
Flavoxate;2-piperdinoethyl-3-methylflavone-8-carboxylate-hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.155036017 u |
| Formula |
C24H26ClNO4 |
| InChI |
InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H |
| InChIKey |
XOEVKNFZUQEERE-UHFFFAOYSA-N |
| Molecular Weight |
427.928 g/mol |
| SMILES |
[Cl-].C1(=O)C(=C(C2=CC=CC=C2)OC2=C1C=CC=C2C(=O)OCC[NH+]1CCCCC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.786863 |
