| SpectraBase Compound ID | CBOUAkTuHPo |
|---|---|
| InChI | InChI=1S/C7H12S2/c1-3-6(2)7-8-4-5-9-7/h3,7H,4-5H2,1-2H3/b6-3- |
| InChIKey | UAVDYUFQIIVTNO-UTCJRWHESA-N |
| Mol Weight | 160.29 g/mol |
| Molecular Formula | C7H12S2 |
| Exact Mass | 160.038043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J9AzfKqmF8y |
|---|---|
| Name | 1,3-Dithiolane, 2-(1-methyl-1-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.038042734 u |
| Formula | C7H12S2 |
| InChI | InChI=1S/C7H12S2/c1-3-6(2)7-8-4-5-9-7/h3,7H,4-5H2,1-2H3/b6-3- |
| InChIKey | UAVDYUFQIIVTNO-UTCJRWHESA-N |
| Molecular Weight | 160.293 g/mol |
| SMILES | C1(\C(=C/C)C)SCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950626 |