| SpectraBase Compound ID | EqAlkUI4JEI |
|---|---|
| InChI | InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11) |
| InChIKey | HAASPZUBSZGCKU-UHFFFAOYSA-N |
| Mol Weight | 185.63 g/mol |
| Molecular Formula | C7H4ClNOS |
| Exact Mass | 184.970213 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1yDWYseoEiZ |
|---|---|
| Name | 6-Chloro-1,3-benzoxazole-2(3H)-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.970212626 u |
| Formula | C7H4ClNOS |
| InChI | InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11) |
| InChIKey | HAASPZUBSZGCKU-UHFFFAOYSA-N |
| SMILES | C1(=S)NC2=CC=C(C=C2O1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888564 |