| SpectraBase Compound ID | LOSggUNtCy2 |
|---|---|
| InChI | InChI=1S/C13H26O/c1-4-9-13(14)11-8-6-5-7-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | HKKPNGKIYAETLS-UHFFFAOYSA-N |
| Mol Weight | 198.35 g/mol |
| Molecular Formula | C13H26O |
| Exact Mass | 198.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6u1P12Mv1ma |
|---|---|
| Name | 4-Dodecanone, 11-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.198365456 u |
| Formula | C13H26O |
| InChI | InChI=1S/C13H26O/c1-4-9-13(14)11-8-6-5-7-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | HKKPNGKIYAETLS-UHFFFAOYSA-N |
| Molecular Weight | 198.350 g/mol |
| SMILES | C(CCCCCC(C)C)C(CCC)=O |