| SpectraBase Compound ID | 4Gz3BjmUk47 |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| InChIKey | VZZADINUWDBNEX-BQYQJAHWSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wkkb4H15sc |
|---|---|
| Name | (E)-1-Phenyl-2-pentene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| InChIKey | VZZADINUWDBNEX-BQYQJAHWSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(\C=C\C(=O)C)(=O)C=1C=CC=CC1 |