| SpectraBase Compound ID | Jbs3JArH8tx |
|---|---|
| InChI | InChI=1S/C15H30O/c1-13(2)10-8-6-5-7-9-11-15(16)12-14(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | RGMWWSCJNNLNRK-UHFFFAOYSA-N |
| Mol Weight | 226.4 g/mol |
| Molecular Formula | C15H30O |
| Exact Mass | 226.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6msxME32qE8 |
|---|---|
| Name | 2,12-Dimethyltridecan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.229665585 u |
| Formula | C15H30O |
| InChI | InChI=1S/C15H30O/c1-13(2)10-8-6-5-7-9-11-15(16)12-14(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | RGMWWSCJNNLNRK-UHFFFAOYSA-N |
| Molecular Weight | 226.404 g/mol |
| SMILES | CC(CC(CCCCCCCC(C)C)=O)C |