| SpectraBase Compound ID | EqSGy4h3AFb |
|---|---|
| InChI | InChI=1S/C7H16S2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3 |
| InChIKey | AHJYQSDQHJYGCW-UHFFFAOYSA-N |
| Mol Weight | 164.32 g/mol |
| Molecular Formula | C7H16S2 |
| Exact Mass | 164.069343 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EGnMlifX64B |
|---|---|
| Name | 1,5-bis(Methylthio)pentane |
| 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/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3 |
| InChIKey | AHJYQSDQHJYGCW-UHFFFAOYSA-N |
| Molecular Weight | 164.325 g/mol |
| SMILES | CSCCCCCSC |
| Spectrum/Structure Validation Score (Raman) | 0.963749 |