| SpectraBase Compound ID | GD6tf4SFM59 |
|---|---|
| InChI | InChI=1S/C13H26O2S/c1-3-4-5-6-7-8-10-13(14)15-11-9-12-16-2/h3-12H2,1-2H3 |
| InChIKey | PPVJDHJFJZVMPX-UHFFFAOYSA-N |
| Mol Weight | 246.41 g/mol |
| Molecular Formula | C13H26O2S |
| Exact Mass | 246.165351 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HkbvGDhO3vU |
|---|---|
| Name | 3-(Methylthio)propyl nonanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.165351249 u |
| Formula | C13H26O2S |
| InChI | InChI=1S/C13H26O2S/c1-3-4-5-6-7-8-10-13(14)15-11-9-12-16-2/h3-12H2,1-2H3 |
| InChIKey | PPVJDHJFJZVMPX-UHFFFAOYSA-N |
| Molecular Weight | 246.409 g/mol |
| SMILES | CSCCCOC(CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947801 |