SpectraBase Spectrum ID |
2risMtQaSqy |
Name |
4-Benzylidene-1-butyl-2-[morpholino(p-tolyl)methyl]-1H-imidazol-5(4H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.241627248 u |
Formula |
C26H31N3O2 |
InChI |
InChI=1S/C26H31N3O2/c1-3-4-14-29-25(27-23(26(29)30)19-21-8-6-5-7-9-21)24(28-15-17-31-18-16-28)22-12-10-20(2)11-13-22/h5-13,19,24H,3-4,14-18H2,1-2H3/b23-19- |
InChIKey |
DZEBZNYTZMJXAV-NMWGTECJSA-N |
Molecular Weight |
417.553 g/mol |
SMILES |
C=1(N(C(=O)\C(N1)=C\C1=CC=CC=C1)CCCC)C(N1CCOCC1)C1=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817505 |