| SpectraBase Spectrum ID |
IIPG1C3ChKs |
| Name |
2-Imidazoline-1-carbothioamide, 3,5,N-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.129968798 u |
| Formula |
C22H19N3S |
| InChI |
InChI=1S/C22H19N3S/c26-22(23-19-14-8-3-9-15-19)25-21(18-12-6-2-7-13-18)16-20(24-25)17-10-4-1-5-11-17/h1-15,21H,16H2,(H,23,26) |
| InChIKey |
MBWFIMQXLZAZIL-UHFFFAOYSA-N |
| Molecular Weight |
357.475 g/mol |
| SMILES |
C1=CC=C(C=C1)C1=NN(C(NC=2C=CC=CC2)=S)C(C2=CC=CC=C2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942412 |
