| SpectraBase Compound ID | Fh8kQbhfJtT |
|---|---|
| InChI | InChI=1S/C9H18O/c1-7(2)8(3)5-6-9(4)10/h7-8H,5-6H2,1-4H3/t8-/m0/s1 |
| InChIKey | WQCPCHUHFFYMFU-QMMMGPOBSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqLnoQa4M9K |
|---|---|
| Name | (S)-(-)-5,6-dimethylheptan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-7(2)8(3)5-6-9(4)10/h7-8H,5-6H2,1-4H3/t8-/m0/s1 |
| InChIKey | WQCPCHUHFFYMFU-QMMMGPOBSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(C[C@@](C(C)C)(C)[H])C(C)=O |