| SpectraBase Compound ID | HQGwKPbkv2p |
|---|---|
| InChI | InChI=1S/C7H14S/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3 |
| InChIKey | XIBMCVKDUXKQRS-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 | 6o2LIgl8MN6 |
|---|---|
| Name | 3-((1,1-Dimethylethyl)-thio)-1-propene |
| 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/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3 |
| InChIKey | XIBMCVKDUXKQRS-UHFFFAOYSA-N |
| Molecular Weight | 130.249 g/mol |
| SMILES | C=CCSC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968886 |