| SpectraBase Compound ID | 1PQmYsfGB11 |
|---|---|
| InChI | InChI=1S/C13H10O2/c1-9-7-13(15)11(8-12(9)14)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | UZFTUCAAHYREBS-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C13H10O2 |
| Exact Mass | 198.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0rSwhZP14a |
|---|---|
| Name | 2-Methyl-5-phenyl-1,4,cyclohediene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.068079560 u |
| Formula | C13H10O2 |
| InChI | InChI=1S/C13H10O2/c1-9-7-13(15)11(8-12(9)14)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | UZFTUCAAHYREBS-UHFFFAOYSA-N |
| Molecular Weight | 198.221 g/mol |
| SMILES | C=1C(C(C2=CC=CC=C2)=CC(C1C)=O)=O |