| SpectraBase Compound ID | 4DqfLHIE5v3 |
|---|---|
| InChI | InChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H/b20-16+ |
| InChIKey | MEBZZSFHCRISAQ-CAPFRKAQSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C22H16O2 |
| Exact Mass | 312.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KbW0a6GTj8F |
|---|---|
| Name | (2Z)-1,2,4-Triphenyl-2-butene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.115029753 u |
| Formula | C22H16O2 |
| InChI | InChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H/b20-16+ |
| InChIKey | MEBZZSFHCRISAQ-CAPFRKAQSA-N |
| Molecular Weight | 312.368 g/mol |
| SMILES | C(\C=C\(C(=O)C1=CC=CC=C1)C1=CC=CC=C1)(=O)C1=CC=CC=C1 |