| SpectraBase Spectrum ID |
3xbPF3IXNRU |
| Name |
1-Methyl-2-methylthio-5,5-diphenyl-4,5(1H)dihydro-1,3-diazole-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.098334316 u |
| Formula |
C17H16N2OS |
| InChI |
InChI=1S/C17H16N2OS/c1-19-16(21-2)18-15(20)17(19,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3 |
| InChIKey |
GLCTYCWWXOTPHU-UHFFFAOYSA-N |
| Molecular Weight |
296.388 g/mol |
| SMILES |
C=1(N(C(C=2C=CC=CC2)(C2=CC=CC=C2)C(N1)=O)C)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909062 |
