| SpectraBase Compound ID | 7iSQ2VTKoXA |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-3-4-5-6-10(13)7-11(14)9(2)8-12/h9-10,12-13H,3-8H2,1-2H3 |
| InChIKey | CVAGAZRREOJWRJ-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbNKxo1Xbl9 |
|---|---|
| Name | 1,5-Dihydroxy-2-methyl-3-decanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-3-4-5-6-10(13)7-11(14)9(2)8-12/h9-10,12-13H,3-8H2,1-2H3 |
| InChIKey | CVAGAZRREOJWRJ-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(CC(O)CCCCC)(C(CO)C)=O |