| SpectraBase Compound ID | 1oH3dBtZACK |
|---|---|
| InChI | InChI=1S/C8H14S2/c1-3-5-8(9-2)6-4-7-10-8/h3H,1,4-7H2,2H3 |
| InChIKey | GZBVQYRYIJBVBV-UHFFFAOYSA-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 | 1pchoIwy8LM |
|---|---|
| Name | 2-Allyl-2-(methylthio) thiolane |
| 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(9-2)6-4-7-10-8/h3H,1,4-7H2,2H3 |
| InChIKey | GZBVQYRYIJBVBV-UHFFFAOYSA-N |
| Molecular Weight | 174.320 g/mol |
| SMILES | C1(SCCC1)(SC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909308 |