| SpectraBase Spectrum ID |
DvMD2t67u22 |
| Name |
3-Benzoyl-6-methyl-4-methylthio-1-phenyl-2(1H)-pyridinethione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.075156518 u |
| Formula |
C20H17NOS2 |
| InChI |
InChI=1S/C20H17NOS2/c1-14-13-17(24-2)18(19(22)15-9-5-3-6-10-15)20(23)21(14)16-11-7-4-8-12-16/h3-13H,1-2H3 |
| InChIKey |
FOSMJMPYZSAAEH-UHFFFAOYSA-N |
| Molecular Weight |
351.482 g/mol |
| SMILES |
C1(C(=C(C=C(N1C=1C=CC=CC1)C)SC)C(C=1C=CC=CC1)=O)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904798 |
