| SpectraBase Compound ID | K5VXICNMEJ |
|---|---|
| InChI | InChI=1S/C16H12O3/c17-14(12-7-3-1-4-8-12)11-15(18)16(19)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | IGHNCOCVHRDKQI-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGQVL1pLeKt |
|---|---|
| Name | 1,2,4-Butanetrione, 1,4-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c17-14(12-7-3-1-4-8-12)11-15(18)16(19)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | IGHNCOCVHRDKQI-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | c1ccc(cc1)C(=O)CC(=O)C(=O)c1ccccc1 |