| SpectraBase Compound ID | HwP8yX6VGmr |
|---|---|
| InChI | InChI=1S/C12H10O4/c13-8-4-7-11(14)9-16-12(15)10-5-2-1-3-6-10/h1-8H,9H2/b7-4+ |
| InChIKey | XEARJMYEJUGOMK-QPJJXVBHSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3Xm7CeoOzi |
|---|---|
| Name | 2,5-Dioxopent-3-en-1-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c13-8-4-7-11(14)9-16-12(15)10-5-2-1-3-6-10/h1-8H,9H2/b7-4+ |
| InChIKey | XEARJMYEJUGOMK-QPJJXVBHSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C(OCC(\C=C\C=O)=O)(=O)C1=CC=CC=C1 |