| SpectraBase Compound ID | 6IDNPVdWYVq |
|---|---|
| InChI | InChI=1S/C6H8S/c1-3-5-6-7-4-2/h3H,1,4H2,2H3 |
| InChIKey | SICACCNECSLXMB-UHFFFAOYSA-N |
| Mol Weight | 112.19 g/mol |
| Molecular Formula | C6H8S |
| Exact Mass | 112.034671 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 | GDLckiNZDy5 |
|---|---|
| Name | but-3-en-1-Ynyl ethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.034671432 u |
| Formula | C6H8S |
| InChI | InChI=1S/C6H8S/c1-3-5-6-7-4-2/h3H,1,4H2,2H3 |
| InChIKey | SICACCNECSLXMB-UHFFFAOYSA-N |
| Molecular Weight | 112.190 g/mol |
| SMILES | C(C)SC#CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954922 |