| SpectraBase Compound ID | 81i5XSHYoWI |
|---|---|
| InChI | InChI=1S/C13H16S4/c1-13(16-8-9-17-13)11-4-2-10(3-5-11)12-14-6-7-15-12/h2-5,12H,6-9H2,1H3 |
| InChIKey | DELFOYOJYKGLFL-UHFFFAOYSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C13H16S4 |
| Exact Mass | 300.013485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GeQMKWffITl |
|---|---|
| Name | 1-(Dithiolyl)-4-(2-methyl-dithiolyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.013485211 u |
| Formula | C13H16S4 |
| InChI | InChI=1S/C13H16S4/c1-13(16-8-9-17-13)11-4-2-10(3-5-11)12-14-6-7-15-12/h2-5,12H,6-9H2,1H3 |
| InChIKey | DELFOYOJYKGLFL-UHFFFAOYSA-N |
| SMILES | C1(SCCS1)(C=1C=CC(C2SCCS2)=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850797 |