| SpectraBase Compound ID | LOEc9FQGLZU |
|---|---|
| InChI | InChI=1S/C12H22O/c1-4-6-8-10-12(11(3)13)9-7-5-2/h10H,4-9H2,1-3H3/b12-10+ |
| InChIKey | UAETWNBRKDGHSH-ZRDIBKRKSA-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 | 5Ph2PDAYheL |
|---|---|
| Name | 3-Octen-2-one, 3-butyl- |
| 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/c1-4-6-8-10-12(11(3)13)9-7-5-2/h10H,4-9H2,1-3H3/b12-10+ |
| InChIKey | UAETWNBRKDGHSH-ZRDIBKRKSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | CCCC\C=C/(CCCC)C(C)=O |