| SpectraBase Compound ID | CQr0HTwT37w |
|---|---|
| InChI | InChI=1S/C8H18S3/c1-9-5-3-7-11-8-4-6-10-2/h3-8H2,1-2H3 |
| InChIKey | AMCMJIDOANRFQH-UHFFFAOYSA-N |
| Mol Weight | 210.41 g/mol |
| Molecular Formula | C8H18S3 |
| Exact Mass | 210.057064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IlapeafgUEg |
|---|---|
| Name | Propane, 1,1'-thiobis[3-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.057064102 u |
| Formula | C8H18S3 |
| InChI | InChI=1S/C8H18S3/c1-9-5-3-7-11-8-4-6-10-2/h3-8H2,1-2H3 |
| InChIKey | AMCMJIDOANRFQH-UHFFFAOYSA-N |
| Molecular Weight | 210.412 g/mol |
| SMILES | CSCCCSCCCSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960693 |