| SpectraBase Compound ID | HCkvUB8Rgz6 |
|---|---|
| InChI | InChI=1S/C13H24O/c1-5-7-9-13(14)12(8-6-2)10-11(3)4/h12H,3,5-10H2,1-2,4H3 |
| InChIKey | SHYAVROQMKEHEM-UHFFFAOYSA-N |
| Mol Weight | 196.33 g/mol |
| Molecular Formula | C13H24O |
| Exact Mass | 196.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UDiPN80kYP |
|---|---|
| Name | 2-Methyl-4-propyl-1-nonen-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.182715392 u |
| Formula | C13H24O |
| InChI | InChI=1S/C13H24O/c1-5-7-9-13(14)12(8-6-2)10-11(3)4/h12H,3,5-10H2,1-2,4H3 |
| InChIKey | SHYAVROQMKEHEM-UHFFFAOYSA-N |
| Molecular Weight | 196.334 g/mol |
| SMILES | C(C(CC(=C)C)CCC)(=O)CCCC |