| SpectraBase Compound ID | KNsdtWRJX2U |
|---|---|
| InChI | InChI=1S/C19H16O3/c1-21-18-13-10-16(14-19(18)22-2)9-12-17(20)11-8-15-6-4-3-5-7-15/h3-8,10-11,13-14H,1-2H3/b11-8+ |
| InChIKey | PBGCVRPLNRMYFO-DHZHZOJOSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C19H16O3 |
| Exact Mass | 292.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZwGpuhlbRF |
|---|---|
| Name | 1-(3',4'-Dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.109944372 u |
| Formula | C19H16O3 |
| InChI | InChI=1S/C19H16O3/c1-21-18-13-10-16(14-19(18)22-2)9-12-17(20)11-8-15-6-4-3-5-7-15/h3-8,10-11,13-14H,1-2H3/b11-8+ |
| InChIKey | PBGCVRPLNRMYFO-DHZHZOJOSA-N |
| SMILES | C(#CC=1C=C(OC)C(=CC1)OC)C(\C=C\C1=CC=CC=C1)=O |