| SpectraBase Spectrum ID |
1OwFMa6wLkJ |
| Name |
1-Ethyl-5-(4-chlorobenzoyl)-4-hydroxy-6-methylthio-2-pyridone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.038292186 u |
| Formula |
C15H14ClNO3S |
| InChI |
InChI=1S/C15H14ClNO3S/c1-3-17-12(19)8-11(18)13(15(17)21-2)14(20)9-4-6-10(16)7-5-9/h4-8,18H,3H2,1-2H3 |
| InChIKey |
QBJKMGGLQKDEAI-UHFFFAOYSA-N |
| Molecular Weight |
323.794 g/mol |
| SMILES |
C1(C=C(C(=C(N1CC)SC)C(C=1C=CC(=CC1)Cl)=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900563 |
