| SpectraBase Spectrum ID |
IsCCQiwdLDX |
| Name |
Pyridazin-3(2H)-one, 4,5-di(ethylthio)-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.070405490 u |
| Formula |
C14H16N2OS2 |
| InChI |
InChI=1S/C14H16N2OS2/c1-3-18-12-10-15-16(11-8-6-5-7-9-11)14(17)13(12)19-4-2/h5-10H,3-4H2,1-2H3 |
| InChIKey |
RHIIWOOAQBPGAP-UHFFFAOYSA-N |
| Molecular Weight |
292.415 g/mol |
| SMILES |
C1(C(=C(SCC)C=NN1C=1C=CC=CC1)SCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915172 |