| SpectraBase Compound ID | 4tCk1lweOcM |
|---|---|
| InChI | InChI=1S/C8H14S2/c1-3-5-8(2)9-6-4-7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+ |
| InChIKey | CUEDNCYYUFRJKR-HWKANZROSA-N |
| Mol Weight | 174.32 g/mol |
| Molecular Formula | C8H14S2 |
| Exact Mass | 174.053693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9aufMbA76EE |
|---|---|
| Name | 2-Methyl-2-(E)-propenyl-m-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.053692799 u |
| Formula | C8H14S2 |
| InChI | InChI=1S/C8H14S2/c1-3-5-8(2)9-6-4-7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+ |
| InChIKey | CUEDNCYYUFRJKR-HWKANZROSA-N |
| Molecular Weight | 174.320 g/mol |
| SMILES | C1SC(C)(SCC1)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923421 |