| SpectraBase Spectrum ID |
FBsl42lJTDq |
| Name |
2-(2-Benzylsulfanyl-4-phenylimidazol-2-yl)-1-phenylpropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.145284509 u |
| Formula |
C25H22N2OS |
| InChI |
InChI=1S/C25H22N2OS/c1-19(24(28)22-15-9-4-10-16-22)25(29-18-20-11-5-2-6-12-20)26-17-23(27-25)21-13-7-3-8-14-21/h2-17,19H,18H2,1H3 |
| InChIKey |
JMGOBWQZPZREMI-UHFFFAOYSA-N |
| Molecular Weight |
398.524 g/mol |
| SMILES |
C(C(C)C1(N=C(C=N1)C=1C=CC=CC1)SCC=1C=CC=CC1)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904732 |
