| SpectraBase Compound ID | DcTWqVuhENr |
|---|---|
| InChI | InChI=1S/C9H18O3S/c1-8(2)7-12-9(10)11-5-4-6-13-3/h8H,4-7H2,1-3H3 |
| InChIKey | XCCCSGSBRSRROR-UHFFFAOYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C9H18O3S |
| Exact Mass | 206.097666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9TTUGhqwWDC |
|---|---|
| Name | Isobutyl (3-(methylthio)propyl) carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.097665611 u |
| Formula | C9H18O3S |
| InChI | InChI=1S/C9H18O3S/c1-8(2)7-12-9(10)11-5-4-6-13-3/h8H,4-7H2,1-3H3 |
| InChIKey | XCCCSGSBRSRROR-UHFFFAOYSA-N |
| Molecular Weight | 206.300 g/mol |
| SMILES | CSCCCOC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948939 |