SpectraBase Spectrum ID |
Lv7bfgzxoEM |
Name |
Propafenone -H2O P1053 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.188529047 u |
Formula |
C21H25NO2 |
InChI |
InChI=1S/C21H25NO2/c1-2-15-22-16-8-17-24-21-12-7-6-11-19(21)20(23)14-13-18-9-4-3-5-10-18/h3-12,16,22H,2,13-15,17H2,1H3/b16-8+ |
InChIKey |
XFTLVJNGHMNWHK-LZYBPNLTSA-N |
Molecular Weight |
323.436 g/mol |
SMILES |
C1(=CC=CC=C1)CCC(C=1C=CC=CC1OC\C=C\NCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939889 |