| SpectraBase Spectrum ID |
GMlYgPnQ6s0 |
| Name |
5,7-Dichloro-6-methyl-2(3H)-benzoxazolethione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.946890358 u |
| Formula |
C8H5Cl2NOS |
| InChI |
InChI=1S/C8H5Cl2NOS/c1-3-4(9)2-5-7(6(3)10)12-8(13)11-5/h2H,1H3,(H,11,13) |
| InChIKey |
HXLKSPUYOZZJBE-UHFFFAOYSA-N |
| Molecular Weight |
234.100 g/mol |
| SMILES |
C1(=S)NC2=C(O1)C(=C(C(=C2)Cl)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9063 |
