| SpectraBase Compound ID | HzAUypqSDOR |
|---|---|
| InChI | InChI=1S/C7H16S2/c1-7(2,3)6(8-4)9-5/h6H,1-5H3 |
| InChIKey | QHUMZNOOVGPCAK-UHFFFAOYSA-N |
| Mol Weight | 164.32 g/mol |
| Molecular Formula | C7H16S2 |
| Exact Mass | 164.069343 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Auu8FTjKQ5J |
|---|---|
| Name | 2,2-Dimethyl-1,1-bis(methylthio)propane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.069342863 u |
| Formula | C7H16S2 |
| InChI | InChI=1S/C7H16S2/c1-7(2,3)6(8-4)9-5/h6H,1-5H3 |
| InChIKey | QHUMZNOOVGPCAK-UHFFFAOYSA-N |
| Molecular Weight | 164.325 g/mol |
| SMILES | C(C(C)(C)C)(SC)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842562 |