| SpectraBase Compound ID | CZfMXjDVlwA |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-3-13(15)11-9-7-5-6-8-10-12-14(16)4-2/h3-12H2,1-2H3 |
| InChIKey | DTIGELFFJROSDC-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOM3At35D03 |
|---|---|
| Name | Tetradecane-3,12-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-3-13(15)11-9-7-5-6-8-10-12-14(16)4-2/h3-12H2,1-2H3 |
| InChIKey | DTIGELFFJROSDC-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | CCC(CCCCCCCCC(CC)=O)=O |