| SpectraBase Spectrum ID |
7efqwQQY8We |
| Name |
1-p-Chlorophenyl-2-S-benzylisothiobiurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.065509992 u |
| Formula |
C15H15ClN4OS |
| InChI |
InChI=1S/C15H15ClN4OS/c16-12-6-8-13(9-7-12)18-15(20-19-14(17)21)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)(H3,17,19,21) |
| InChIKey |
CQZHIRHUFAIZMP-UHFFFAOYSA-N |
| Molecular Weight |
334.825 g/mol |
| SMILES |
C(N\N=C/(NC=1C=CC(=CC1)Cl)SCC1=CC=CC=C1)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875249 |
