| SpectraBase Compound ID | Jjk1FSREdSD |
|---|---|
| InChI | InChI=1S/C9H12S2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3 |
| InChIKey | HDPFHGYXRXBXJB-UHFFFAOYSA-N |
| Mol Weight | 184.31 g/mol |
| Molecular Formula | C9H12S2 |
| Exact Mass | 184.038043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LtZOTqjkAV2 |
|---|---|
| Name | 3,4-bis(Methylthio)toluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.038042734 u |
| Formula | C9H12S2 |
| InChI | InChI=1S/C9H12S2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3 |
| InChIKey | HDPFHGYXRXBXJB-UHFFFAOYSA-N |
| Molecular Weight | 184.315 g/mol |
| SMILES | C1(=CC(SC)=C(C=C1)SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875009 |