| SpectraBase Compound ID | 6zqmikFuU6y |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-9-5-3-2-4-8-12-10(11)7-6-9/h9H,2-8H2,1H3 |
| InChIKey | MZMIUYKZTIEEGB-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qpZQdwYTMY |
|---|---|
| Name | 2-Oxecanone, 5-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-9-5-3-2-4-8-12-10(11)7-6-9/h9H,2-8H2,1H3 |
| InChIKey | MZMIUYKZTIEEGB-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C1(OCCCCCC(CC1)C)=O |