| SpectraBase Compound ID | H15KMVenzbd |
|---|---|
| InChI | InChI=1S/C13H8Cl2S/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H |
| InChIKey | JWKRCOYAJOCPIE-UHFFFAOYSA-N |
| Mol Weight | 267.17 g/mol |
| Molecular Formula | C13H8Cl2S |
| Exact Mass | 265.972377 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6gDjsQ9X932 |
|---|---|
| Name | 4,4'-Dichloro-thiobenzophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.972376832 u |
| Formula | C13H8Cl2S |
| InChI | InChI=1S/C13H8Cl2S/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H |
| InChIKey | JWKRCOYAJOCPIE-UHFFFAOYSA-N |
| Molecular Weight | 267.173 g/mol |
| SMILES | C=1(Cl)C=CC(=CC1)C(=S)C1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845227 |