| SpectraBase Compound ID | CyCIcJnhj25 |
|---|---|
| InChI | InChI=1S/C12H22O/c1-4-6-8-12(7-5-2)10-9-11(3)13/h7H,4-6,8-10H2,1-3H3/b12-7+ |
| InChIKey | XMNAIZUYTWHQFI-KPKJPENVSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oBpRQnyulV |
|---|---|
| Name | (E)-5-Butyl-5-octen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-4-6-8-12(7-5-2)10-9-11(3)13/h7H,4-6,8-10H2,1-3H3/b12-7+ |
| InChIKey | XMNAIZUYTWHQFI-KPKJPENVSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(\C=C\(CCC(=O)C)CCCC)C |