| SpectraBase Compound ID | DOK6IePKzmZ |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3 |
| InChIKey | UHSBCAJZDUQTHH-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvVfCBeySxJ |
|---|---|
| Name | 3-Hydroxy-2-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3 |
| InChIKey | UHSBCAJZDUQTHH-UHFFFAOYSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | CC(C(CCC)O)=O |