SpectraBase Spectrum ID |
6BDFeSYhLIN |
Name |
Pyridazin-3(2H)-one, 4-mercapto-5-methoxy-2-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.046298742 u |
Formula |
C11H10N2O2S |
InChI |
InChI=1S/C11H10N2O2S/c1-15-9-7-12-13(11(14)10(9)16)8-5-3-2-4-6-8/h2-7,16H,1H3 |
InChIKey |
PPSSTFZEXVCENG-UHFFFAOYSA-N |
Molecular Weight |
234.273 g/mol |
SMILES |
C1(C(=C(OC)C=NN1C1=CC=CC=C1)S)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938044 |