| SpectraBase Compound ID | 3k6ipEJzLjt |
|---|---|
| InChI | InChI=1S/C7H16S2/c1-3-5-8-7-9-6-4-2/h3-7H2,1-2H3 |
| InChIKey | MRSXHGPXVSDYAH-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 | 6Crxds5ij4k |
|---|---|
| Name | bis(N-Propylthio)methane |
| 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/c1-3-5-8-7-9-6-4-2/h3-7H2,1-2H3 |
| InChIKey | MRSXHGPXVSDYAH-UHFFFAOYSA-N |
| Molecular Weight | 164.325 g/mol |
| SMILES | CCCSCSCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842861 |