| SpectraBase Compound ID | 5o6egYIGaVi |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-8(10)7(4)9(11)6(2)3/h7,9,11H,2,5H2,1,3-4H3 |
| InChIKey | GVYRYRHACRAUBG-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TANt8f3a6R |
|---|---|
| Name | 6-Hepten-3-one, 5-hydroxy-4,6-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-8(10)7(4)9(11)6(2)3/h7,9,11H,2,5H2,1,3-4H3 |
| InChIKey | GVYRYRHACRAUBG-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C(C(CC)=O)C)(C(C)=C)O |