| SpectraBase Compound ID | 9u8VPOL2rZv |
|---|---|
| InChI | InChI=1S/C7H14S/c1-2-7-3-5-8-6-4-7/h7H,2-6H2,1H3 |
| InChIKey | DZXVHXPCUHPSMD-UHFFFAOYSA-N |
| Mol Weight | 130.25 g/mol |
| Molecular Formula | C7H14S |
| Exact Mass | 130.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Sf5oIdYOiU |
|---|---|
| Name | 4-Ethylthiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.081621625 u |
| Formula | C7H14S |
| InChI | InChI=1S/C7H14S/c1-2-7-3-5-8-6-4-7/h7H,2-6H2,1H3 |
| InChIKey | DZXVHXPCUHPSMD-UHFFFAOYSA-N |
| Molecular Weight | 130.249 g/mol |
| SMILES | C1CC(CCS1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920838 |