| SpectraBase Compound ID | 3ErhjkoCiNa |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey | NBFKNCBRFJKDDR-PLNGDYQASA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50H1ZymEyvL |
|---|---|
| Name | (Z)-5-Octen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey | NBFKNCBRFJKDDR-PLNGDYQASA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(=O)(CC\C=C/CC)C |