| SpectraBase Spectrum ID |
5HSX0NkWj7i |
| Name |
1-Pyrazolidinemethanimine, N-(2-benzoyl-4-chlorophenyl)-.alpha.-(methylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.085911085 u |
| Formula |
C18H18ClN3OS |
| InChI |
InChI=1S/C18H18ClN3OS/c1-24-18(22-11-5-10-20-22)21-16-9-8-14(19)12-15(16)17(23)13-6-3-2-4-7-13/h2-4,6-9,12,20H,5,10-11H2,1H3/b21-18- |
| InChIKey |
DHHWQEKXDPCNRW-UZYVYHOESA-N |
| Molecular Weight |
359.875 g/mol |
| SMILES |
C1=C(C=CC(=C1C(C1=CC=CC=C1)=O)\N=C/(SC)N1CCCN1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879999 |
