| SpectraBase Compound ID | 4vxHlq1NIDE |
|---|---|
| InChI | InChI=1S/C14H16O/c1-11(2)9-10-14(12(3)15)13-7-5-4-6-8-13/h4-10,14H,1H2,2-3H3/b10-9+ |
| InChIKey | KKNZGHVFJORUEG-MDZDMXLPSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aWa0OKrgB4 |
|---|---|
| Name | (+-)-(4E)-6-methyl-3-phenylhepta-4,6-dien-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.120115134 u |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-11(2)9-10-14(12(3)15)13-7-5-4-6-8-13/h4-10,14H,1H2,2-3H3/b10-9+ |
| InChIKey | KKNZGHVFJORUEG-MDZDMXLPSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | C(\C=C\C(=C)C)(C(=O)C)C1=CC=CC=C1 |