| SpectraBase Compound ID | 41dI9T4ZE2I |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-10(13)6-5-9-12(14)11-7-3-2-4-8-11/h2-5,7-9H,6H2,1H3/b9-5+ |
| InChIKey | WPCQXABGSOZSKM-WEVVVXLNSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOQcRV9aYD1 |
|---|---|
| Name | 1-Phenylhex-2-ene-1,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-10(13)6-5-9-12(14)11-7-3-2-4-8-11/h2-5,7-9H,6H2,1H3/b9-5+ |
| InChIKey | WPCQXABGSOZSKM-WEVVVXLNSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1=C(C=CC=C1)C(\C=C\CC(C)=O)=O |