| SpectraBase Compound ID | KjhKcBrLPer |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-2-5-10(13)15-12-9-7-4-3-6-8(9)11(14)16-12/h2-7,12H,1H3/b5-2+ |
| InChIKey | PDRRCRSITUVJBD-GORDUTHDSA-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 | 8EhLwvFjgtU |
|---|---|
| Name | (3-Oxidanylidene-1H-2-benzofuran-1-yl) (E)-but-2-enoate |
| 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/c1-2-5-10(13)15-12-9-7-4-3-6-8(9)11(14)16-12/h2-7,12H,1H3/b5-2+ |
| InChIKey | PDRRCRSITUVJBD-GORDUTHDSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C1(OC(C=2C=CC=CC12)=O)OC(\C=C\C)=O |