| SpectraBase Compound ID | 5x0zzspkGWe |
|---|---|
| InChI | InChI=1S/C13H10O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | KVKMULGEKPFYLQ-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 | DPM6dZpdVX8 |
|---|---|
| Name | 2-Benzyl-[1,4]benzoquinone |
| 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/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | KVKMULGEKPFYLQ-UHFFFAOYSA-N |
| Molecular Weight | 198.221 g/mol |
| SMILES | C1(=O)C=C(CC=2C=CC=CC2)C(C=C1)=O |