| SpectraBase Compound ID | WlgfUUGiwq |
|---|---|
| InChI | InChI=1S/C13H10Cl2S/c1-16-10-5-2-4-9(8-10)13-11(14)6-3-7-12(13)15/h2-8H,1H3 |
| InChIKey | PNNRMQYUKZZOST-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 | 9NHbJvbe0h1 |
|---|---|
| Name | 3-Methylthio-2',6'-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/c1-16-10-5-2-4-9(8-10)13-11(14)6-3-7-12(13)15/h2-8H,1H3 |
| InChIKey | PNNRMQYUKZZOST-UHFFFAOYSA-N |
| SMILES | C=1(C=2C(Cl)=CC=CC2Cl)C=C(SC)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938127 |