![2H-Thiopyran, 3,4-dihydro-3-[(2-propenyltrithio)methyl]-](/api/spectrum/8XY4a48WKCi/structure.png?h=300&w=458 "2H-Thiopyran, 3,4-dihydro-3-[(2-propenyltrithio)methyl]-")
| SpectraBase Compound ID | 8ut36K9YffK |
|---|---|
| InChI | InChI=1S/C9H14S4/c1-2-5-11-13-12-8-9-4-3-6-10-7-9/h2-3,6,9H,1,4-5,7-8H2 |
| InChIKey | GTQRVVUZRLZQNJ-UHFFFAOYSA-N |
| Mol Weight | 250.5 g/mol |
| Molecular Formula | C9H14S4 |
| Exact Mass | 249.997835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XY4a48WKCi |
|---|---|
| Name | 2H-Thiopyran, 3,4-dihydro-3-[(2-propenyltrithio)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.997835147 u |
| Formula | C9H14S4 |
| InChI | InChI=1S/C9H14S4/c1-2-5-11-13-12-8-9-4-3-6-10-7-9/h2-3,6,9H,1,4-5,7-8H2 |
| InChIKey | GTQRVVUZRLZQNJ-UHFFFAOYSA-N |
| Molecular Weight | 250.451 g/mol |
| SMILES | C=1SCC(CC1)CSSSCC=C |