| SpectraBase Compound ID | AIUOecdqFAp |
|---|---|
| InChI | InChI=1S/C6H12OS/c1-6(5-7)3-4-8-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | YFQSMDALFDUXFD-UHFFFAOYSA-N |
| Mol Weight | 132.22 g/mol |
| Molecular Formula | C6H12OS |
| Exact Mass | 132.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kicqm0BFpLE |
|---|---|
| Name | 2-Methyl-4-methylthiobutanal and 5-methylthiopentanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.060886179 u |
| Formula | C6H12OS |
| InChI | InChI=1S/C6H12OS/c1-6(5-7)3-4-8-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | YFQSMDALFDUXFD-UHFFFAOYSA-N |
| Molecular Weight | 132.221 g/mol |
| SMILES | C(=O)C(CCSC)C |