| SpectraBase Spectrum ID |
CTMHSzyv3K2 |
| Name |
S-4-Chlorophenyl 2-amino-4-chlorobenzothioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.978190487 u |
| Formula |
C13H9Cl2NOS |
| InChI |
InChI=1S/C13H9Cl2NOS/c14-8-1-4-10(5-2-8)18-13(17)11-6-3-9(15)7-12(11)16/h1-7H,16H2 |
| InChIKey |
MICKEUCNEWWZKS-UHFFFAOYSA-N |
| Molecular Weight |
298.187 g/mol |
| SMILES |
C1(C(SC=2C=CC(=CC2)Cl)=O)=C(C=C(C=C1)Cl)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948597 |
