| SpectraBase Compound ID | 4AcYPITiBNr |
|---|---|
| InChI | InChI=1S/C9H14S3/c1-2-5-11-12-8-9-4-3-6-10-7-9/h2-3,6,9H,1,4-5,7-8H2 |
| InChIKey | KITBDRDWJWSJFE-UHFFFAOYSA-N |
| Mol Weight | 218.39 g/mol |
| Molecular Formula | C9H14S3 |
| Exact Mass | 218.025764 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5hf6pcOGpLq |
|---|---|
| Name | 3-[(allyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran |
| CAS Registry Number | 116664-20-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14S3 |
| InChI | InChI=1S/C9H14S3/c1-2-5-11-12-8-9-4-3-6-10-7-9/h2-3,6,9H,1,4-5,7-8H2 |
| InChIKey | KITBDRDWJWSJFE-UHFFFAOYSA-N |
| Molecular Weight | 218.391 g/mol |
| SMILES | C=1SCC(CC1)CSSCC=C |
| SPLASH | splash10-0002-8900000000-09e2f569104871bc3316 |
| Source of Spectrum | C-110-7817-17 |
| Wiley ID | 1217086 |