| SpectraBase Compound ID | GyflAf7agcl |
|---|---|
| InChI | InChI=1S/C5H12OS2/c1-7-4-3-5-8(2)6/h3-5H2,1-2H3 |
| InChIKey | AOAGZIKDHOIONC-UHFFFAOYSA-N |
| Mol Weight | 152.27 g/mol |
| Molecular Formula | C5H12OS2 |
| Exact Mass | 152.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FhxtlA7T3AV |
|---|---|
| Name | Propane, 1-(methylsulfinyl)-3-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.032957353 u |
| Formula | C5H12OS2 |
| InChI | InChI=1S/C5H12OS2/c1-7-4-3-5-8(2)6/h3-5H2,1-2H3 |
| InChIKey | AOAGZIKDHOIONC-UHFFFAOYSA-N |
| Molecular Weight | 152.270 g/mol |
| SMILES | C(S(=O)C)CCSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822341 |