| SpectraBase Compound ID | 6YNkUUA95HV |
|---|---|
| InChI | InChI=1S/C22H18O2/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/h1-15,20H,16H2/t20-/m0/s1 |
| InChIKey | UDJIUKWJBHQMBG-FQEVSTJZSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C22H18O2 |
| Exact Mass | 314.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AI1mr89m9f |
|---|---|
| Name | (2S)-1,2,4-Triphenylbutane-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.130679818 u |
| Formula | C22H18O2 |
| InChI | InChI=1S/C22H18O2/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/h1-15,20H,16H2/t20-/m0/s1 |
| InChIKey | UDJIUKWJBHQMBG-FQEVSTJZSA-N |
| SMILES | [C@@](C(=O)C=1C=CC=CC1)(CC(=O)C=1C=CC=CC1)(C1=CC=CC=C1)[H] |