| SpectraBase Compound ID | AFR3fARIeQr |
|---|---|
| InChI | InChI=1S/C10H18O2S/c1-4-7-13-8-6-10(11)12-9(3)5-2/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | IMEIRGMHYUDAEN-UHFFFAOYSA-N |
| Mol Weight | 202.31 g/mol |
| Molecular Formula | C10H18O2S |
| Exact Mass | 202.102751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DFFnf147fUo |
|---|---|
| Name | Propionic acid, 3-(allylthio)-, sec-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.102750992 u |
| Formula | C10H18O2S |
| InChI | InChI=1S/C10H18O2S/c1-4-7-13-8-6-10(11)12-9(3)5-2/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | IMEIRGMHYUDAEN-UHFFFAOYSA-N |
| Molecular Weight | 202.312 g/mol |
| SMILES | C(OC(CC)C)(CCSCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980996 |