| SpectraBase Compound ID | AODPLURQwIL |
|---|---|
| InChI | InChI=1S/C7H2Cl3NOS/c8-2-1-3-6(5(10)4(2)9)11-7(13)12-3/h1H,(H,11,13) |
| InChIKey | LYAOHUVQTBMDDG-UHFFFAOYSA-N |
| Mol Weight | 254.52 g/mol |
| Molecular Formula | C7H2Cl3NOS |
| Exact Mass | 252.892268 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6U78x3pyjzg |
|---|---|
| Name | 4,5,6-Trichlorobenzoxazoline-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.892267961 u |
| Formula | C7H2Cl3NOS |
| InChI | InChI=1S/C7H2Cl3NOS/c8-2-1-3-6(5(10)4(2)9)11-7(13)12-3/h1H,(H,11,13) |
| InChIKey | LYAOHUVQTBMDDG-UHFFFAOYSA-N |
| SMILES | N1C(Oc2cc(c(c(c12)Cl)Cl)Cl)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910891 |