![[(Ethylthio)methyl]thiocarbonyl-(p-toluene)](/api/spectrum/KPm3VEfVL7u/structure.png?h=300&w=458 "[(Ethylthio)methyl]thiocarbonyl-(p-toluene)")
| SpectraBase Compound ID | 9AuJof3LfNu |
|---|---|
| InChI | InChI=1S/C11H14S2/c1-3-13-8-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | XJYHINCYNQYUHE-UHFFFAOYSA-N |
| Mol Weight | 210.35 g/mol |
| Molecular Formula | C11H14S2 |
| Exact Mass | 210.053693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KPm3VEfVL7u |
|---|---|
| Name | [(Ethylthio)methyl]thiocarbonyl-(p-toluene) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.053692799 u |
| Formula | C11H14S2 |
| InChI | InChI=1S/C11H14S2/c1-3-13-8-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | XJYHINCYNQYUHE-UHFFFAOYSA-N |
| Molecular Weight | 210.353 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(=S)CSCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844897 |