| SpectraBase Compound ID | JPtl9PHMX7S |
|---|---|
| InChI | InChI=1S/C12H14S2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h3-8H,1-2,9-10H2 |
| InChIKey | JLKQIYFMSQWVQT-UHFFFAOYSA-N |
| Mol Weight | 222.36 g/mol |
| Molecular Formula | C12H14S2 |
| Exact Mass | 222.053693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GtKnpMTh6Wg |
|---|---|
| Name | 1,2-bis(Allylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.053692799 u |
| Formula | C12H14S2 |
| InChI | InChI=1S/C12H14S2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h3-8H,1-2,9-10H2 |
| InChIKey | JLKQIYFMSQWVQT-UHFFFAOYSA-N |
| Molecular Weight | 222.364 g/mol |
| SMILES | C=1(C(SCC=C)=CC=CC1)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835854 |