| SpectraBase Spectrum ID |
CW7werPw7lQ |
| Name |
1-(3-Chlorophenyl)-3-(4-chlorophenyl)thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.994174904 u |
| Formula |
C13H10Cl2N2S |
| InChI |
InChI=1S/C13H10Cl2N2S/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18) |
| InChIKey |
GRYROFYHQBVWKJ-UHFFFAOYSA-N |
| Molecular Weight |
297.203 g/mol |
| SMILES |
C(NC1=CC(Cl)=CC=C1)(NC=1C=CC(=CC1)Cl)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896196 |
