| SpectraBase Spectrum ID |
GlMd9LXq9aX |
| Name |
1-(2,3-Dichlorophenyl)-3-phenethyl-2-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.025475033 u |
| Formula |
C15H14Cl2N2S |
| InChI |
InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(14(12)17)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20) |
| InChIKey |
XGCLAUFHQPYCNA-UHFFFAOYSA-N |
| Molecular Weight |
325.257 g/mol |
| SMILES |
N(CCC1=CC=CC=C1)C(NC=1C(=C(C=CC1)Cl)Cl)=S |
| Spectrum/Structure Validation Score (Raman) |
0.941705 |
