| SpectraBase Compound ID | A62lIQ3HtDB |
|---|---|
| InChI | InChI=1S/C14H24O2S/c1-4-5-6-7-8-9-10-11-17-14(12(2)15)13(3)16/h9-10,14H,4-8,11H2,1-3H3/b10-9+ |
| InChIKey | QGRQHITUPJQCDK-MDZDMXLPSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C14H24O2S |
| Exact Mass | 256.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LC3I7cl6Bbr |
|---|---|
| Name | 3-(non-2'-Enylthio)pentane-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.149701185 u |
| Formula | C14H24O2S |
| InChI | InChI=1S/C14H24O2S/c1-4-5-6-7-8-9-10-11-17-14(12(2)15)13(3)16/h9-10,14H,4-8,11H2,1-3H3/b10-9+ |
| InChIKey | QGRQHITUPJQCDK-MDZDMXLPSA-N |
| Molecular Weight | 256.404 g/mol |
| SMILES | C(C(=O)C)(C(=O)C)SC\C=C\CCCCCC |