| SpectraBase Spectrum ID |
8u9yAWi947q |
| Name |
2-Phenyl-4-(phenyl-hydrazono)-5-p-tolylsulfanylmethyl-2,4-dihydro-pyrazol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.135782453 u |
| Formula |
C23H20N4OS |
| InChI |
InChI=1S/C23H20N4OS/c1-17-12-14-20(15-13-17)29-16-21-22(25-24-18-8-4-2-5-9-18)23(28)27(26-21)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3/b25-22- |
| InChIKey |
CNNYLUGCBOEORD-LVWGJNHUSA-N |
| Molecular Weight |
400.500 g/mol |
| SMILES |
C1(N(N=C(\C1=N/NC1=CC=CC=C1)CSC1=CC=C(C=C1)C)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930312 |
