| SpectraBase Compound ID | 9vebfQ5NBbE |
|---|---|
| InChI | InChI=1S/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)(H,14,15)/b9-6+ |
| InChIKey | KYILORDWJFEQBS-RMKNXTFCSA-N |
| Mol Weight | 206.2 g/mol |
| Molecular Formula | C11H10O4 |
| Exact Mass | 206.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcJlpkWidWS |
|---|---|
| Name | Butanedioic acid, (phenylmethylene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.057908798 u |
| Formula | C11H10O4 |
| InChI | InChI=1S/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)(H,14,15)/b9-6+ |
| InChIKey | KYILORDWJFEQBS-RMKNXTFCSA-N |
| Molecular Weight | 206.197 g/mol |
| SMILES | C(\C(=C\C1=CC=CC=C1)CC(=O)O)(=O)O |