![2-[(E)-pent-3-enyl]-1,3-dithiane](/api/spectrum/8TWK3pKLF9L/structure.png?h=300&w=458 "2-[(E)-pent-3-enyl]-1,3-dithiane")
| SpectraBase Compound ID | 6fk1WrKhGak |
|---|---|
| InChI | InChI=1S/C9H16S2/c1-2-3-4-6-9-10-7-5-8-11-9/h2-3,9H,4-8H2,1H3/b3-2+ |
| InChIKey | BUYFGQKVMFDVEF-NSCUHMNNSA-N |
| Mol Weight | 188.35 g/mol |
| Molecular Formula | C9H16S2 |
| Exact Mass | 188.069343 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 | 8TWK3pKLF9L |
|---|---|
| Name | 2-[(E)-Pent-3-enyl]-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.069342863 u |
| Formula | C9H16S2 |
| InChI | InChI=1S/C9H16S2/c1-2-3-4-6-9-10-7-5-8-11-9/h2-3,9H,4-8H2,1H3/b3-2+ |
| InChIKey | BUYFGQKVMFDVEF-NSCUHMNNSA-N |
| Molecular Weight | 188.347 g/mol |
| SMILES | C1(SCCCS1)CC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937243 |