| SpectraBase Compound ID | 3iA0zcTFzAI |
|---|---|
| InChI | InChI=1S/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H |
| InChIKey | BQIABQCJXBELMT-UHFFFAOYSA-N |
| Mol Weight | 207.07 g/mol |
| Molecular Formula | C7H4Cl2OS |
| Exact Mass | 205.935991 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J15uLgZ5CD |
|---|---|
| Name | 4-Chlorophenyl chlorothioformate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.935991322 u |
| Formula | C7H4Cl2OS |
| InChI | InChI=1S/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H |
| InChIKey | BQIABQCJXBELMT-UHFFFAOYSA-N |
| Molecular Weight | 207.074 g/mol |
| SMILES | C1=CC(=CC=C1Cl)OC(Cl)=S |
| Spectrum/Structure Validation Score (Raman) | 0.984836 |