| SpectraBase Compound ID | 8U6JjCubfdD |
|---|---|
| InChI | InChI=1S/C18H36S/c1-3-5-7-9-11-13-17-15-16-18(19-17)14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | ORWUBWLSHCIPDC-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C18H36S |
| Exact Mass | 284.253772 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8OksRcVposo |
|---|---|
| Name | Trans-2,5-diheptylthiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.253772333 u |
| Formula | C18H36S |
| InChI | InChI=1S/C18H36S/c1-3-5-7-9-11-13-17-15-16-18(19-17)14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | ORWUBWLSHCIPDC-UHFFFAOYSA-N |
| Molecular Weight | 284.546 g/mol |
| SMILES | C(CCCCC1CCC(CCCCCCC)S1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811832 |