| SpectraBase Compound ID | 3AnZv8IvBvJ |
|---|---|
| InChI | InChI=1S/C19H38S/c1-4-6-8-10-12-14-18-16-17(3)19(20-18)15-13-11-9-7-5-2/h17-19H,4-16H2,1-3H3 |
| InChIKey | URZOJGDBQVQNPK-UHFFFAOYSA-N |
| Mol Weight | 298.6 g/mol |
| Molecular Formula | C19H38S |
| Exact Mass | 298.269422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ajpg4koKfpJ |
|---|---|
| Name | 2,5-Diheptyl-4-methylthiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.269422398 u |
| Formula | C19H38S |
| InChI | InChI=1S/C19H38S/c1-4-6-8-10-12-14-18-16-17(3)19(20-18)15-13-11-9-7-5-2/h17-19H,4-16H2,1-3H3 |
| InChIKey | URZOJGDBQVQNPK-UHFFFAOYSA-N |
| SMILES | C(CCCCC1C(CC(CCCCCCC)S1)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904245 |