| SpectraBase Compound ID | 3OEP7DxzXV0 |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3 |
| InChIKey | NDOGLIPWGGRQCO-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22MKhxK8kgn |
|---|---|
| Name | 2,4-Hexanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3 |
| InChIKey | NDOGLIPWGGRQCO-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | CCC(CC(C)=O)=O |