| SpectraBase Compound ID | 3hJRl3q73fX |
|---|---|
| InChI | InChI=1S/C13H10Cl2S/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3 |
| InChIKey | VKPWPAPLFNCZKS-UHFFFAOYSA-N |
| Mol Weight | 269.19 g/mol |
| Molecular Formula | C13H10Cl2S |
| Exact Mass | 267.988027 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3w3oYVMbC1n |
|---|---|
| Name | 4-Methylthio-2',5'-dichlorobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.988026896 u |
| Formula | C13H10Cl2S |
| InChI | InChI=1S/C13H10Cl2S/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3 |
| InChIKey | VKPWPAPLFNCZKS-UHFFFAOYSA-N |
| SMILES | C=1(C2=CC=C(C=C2)SC)C(=CC=C(C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924845 |