| SpectraBase Compound ID | DKjNDV0Pdnr |
|---|---|
| InChI | InChI=1S/C18H16O/c1-15-11-13-16(14-12-15)7-5-6-10-18(19)17-8-3-2-4-9-17/h2-14H,1H3/b7-5+,10-6+ |
| InChIKey | BTAFHUXPKBPDCB-YLNKAEQOSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C18H16O |
| Exact Mass | 248.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4CFTY6ClFTy |
|---|---|
| Name | (2E,4E)-1-Phenyl-5-(p-tolyl)penta-2,4-dien-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.120115134 u |
| Formula | C18H16O |
| InChI | InChI=1S/C18H16O/c1-15-11-13-16(14-12-15)7-5-6-10-18(19)17-8-3-2-4-9-17/h2-14H,1H3/b7-5+,10-6+ |
| InChIKey | BTAFHUXPKBPDCB-YLNKAEQOSA-N |
| Molecular Weight | 248.325 g/mol |
| SMILES | C(\C=C\C=C\C=1C=CC(=CC1)C)(=O)C1=CC=CC=C1 |