| SpectraBase Spectrum ID |
4luEXP26Knz |
| Name |
Propafenone 2ac P1521 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.220223097 u |
| Formula |
C25H31NO5 |
| InChI |
InChI=1S/C25H31NO5/c1-4-16-26(19(2)27)17-22(31-20(3)28)18-30-25-13-9-8-12-23(25)24(29)15-14-21-10-6-5-7-11-21/h5-13,22H,4,14-18H2,1-3H3 |
| InChIKey |
JBOWCMDVCHNCPO-UHFFFAOYSA-N |
| Molecular Weight |
425.525 g/mol |
| SMILES |
C=1(CCC(C=2C=CC=CC2OCC(CN(C(C)=O)CCC)OC(C)=O)=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8817 |
