| SpectraBase Compound ID | 94RoNoXRTP5 |
|---|---|
| InChI | InChI=1S/C13H26O/c1-12(2)10-8-6-4-5-7-9-11-13(3)14/h12H,4-11H2,1-3H3 |
| InChIKey | GYPFCEFVMRJITR-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 | 1Y61Kb6mABU |
|---|---|
| Name | 11-Methyldodecan-2-one |
| 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/c1-12(2)10-8-6-4-5-7-9-11-13(3)14/h12H,4-11H2,1-3H3 |
| InChIKey | GYPFCEFVMRJITR-UHFFFAOYSA-N |
| Molecular Weight | 198.350 g/mol |
| SMILES | CC(CCCCCCCCC(C)C)=O |