| SpectraBase Compound ID | JSTxR19Kz0E |
|---|---|
| InChI | InChI=1S/C11H20S2/c1-3-5-7-10(4-2)11-12-8-6-9-13-11/h7,11H,3-6,8-9H2,1-2H3/b10-7+ |
| InChIKey | WJOUSDVCMJILRF-JXMROGBWSA-N |
| Mol Weight | 216.4 g/mol |
| Molecular Formula | C11H20S2 |
| Exact Mass | 216.100643 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1LsqzrxHdYJ |
|---|---|
| Name | 2-(1-Ethyl-pentenyl)-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.100642992 u |
| Formula | C11H20S2 |
| InChI | InChI=1S/C11H20S2/c1-3-5-7-10(4-2)11-12-8-6-9-13-11/h7,11H,3-6,8-9H2,1-2H3/b10-7+ |
| InChIKey | WJOUSDVCMJILRF-JXMROGBWSA-N |
| Molecular Weight | 216.401 g/mol |
| SMILES | C1SC(SCC1)\C(=C\CCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858053 |