| SpectraBase Compound ID | 4XMJ3kGMX4Z |
|---|---|
| InChI | InChI=1S/C19H16O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14H,15H2/b13-11+,14-12+ |
| InChIKey | UXLWOYFDJVFCBR-PHEQNACWSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C19H16O2 |
| Exact Mass | 276.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jxjqf8fqLxy |
|---|---|
| Name | 1,7-Diphenyl-1,6-heptadiene-3,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.115029753 u |
| Formula | C19H16O2 |
| InChI | InChI=1S/C19H16O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14H,15H2/b13-11+,14-12+ |
| InChIKey | UXLWOYFDJVFCBR-PHEQNACWSA-N |
| SMILES | C(\C=C\C=1C=CC=CC1)(CC(\C=C\C=1C=CC=CC1)=O)=O |