| SpectraBase Compound ID | 1xKu9BUGy0f |
|---|---|
| InChI | InChI=1S/C12H9ClS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H |
| InChIKey | RKMZTRDJSKGOCM-UHFFFAOYSA-N |
| Mol Weight | 220.72 g/mol |
| Molecular Formula | C12H9ClS |
| Exact Mass | 220.011349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ExOYCwBH9Gq |
|---|---|
| Name | 1-Chloranyl-4-phenylsulfanyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.011349164 u |
| Formula | C12H9ClS |
| InChI | InChI=1S/C12H9ClS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H |
| InChIKey | RKMZTRDJSKGOCM-UHFFFAOYSA-N |
| Molecular Weight | 220.717 g/mol |
| SMILES | C1(SC2=CC=CC=C2)=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953288 |