| SpectraBase Compound ID | 8BxzBgBh5Ko |
|---|---|
| InChI | InChI=1S/C9H18O2S/c1-3-4-6-9(10)11-7-5-8-12-2/h3-8H2,1-2H3 |
| InChIKey | RUMMXVIHNGPEPS-UHFFFAOYSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C9H18O2S |
| Exact Mass | 190.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJ0PrbAxfxV |
|---|---|
| Name | 3-(Methylthio)propyl pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.102750992 u |
| Formula | C9H18O2S |
| InChI | InChI=1S/C9H18O2S/c1-3-4-6-9(10)11-7-5-8-12-2/h3-8H2,1-2H3 |
| InChIKey | RUMMXVIHNGPEPS-UHFFFAOYSA-N |
| Molecular Weight | 190.301 g/mol |
| SMILES | C(COC(CCCC)=O)CSC |