![Ethyl 3-[3'-oxoisobenzofuran-1'(3H)-ylidene]-propanoate](/api/spectrum/1L8lkBYy2Nn/structure.png?h=300&w=458 "Ethyl 3-[3'-oxoisobenzofuran-1'(3H)-ylidene]-propanoate")
| SpectraBase Compound ID | A7avZHQHan5 |
|---|---|
| InChI | InChI=1S/C13H12O4/c1-2-16-12(14)8-7-11-9-5-3-4-6-10(9)13(15)17-11/h3-7H,2,8H2,1H3/b11-7- |
| InChIKey | DYOCFGXHVRELEQ-XFFZJAGNSA-N |
| Mol Weight | 232.23 g/mol |
| Molecular Formula | C13H12O4 |
| Exact Mass | 232.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1L8lkBYy2Nn |
|---|---|
| Name | Ethyl 3-[3'-oxoisobenzofuran-1'(3H)-ylidene]-propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.073558862 u |
| Formula | C13H12O4 |
| InChI | InChI=1S/C13H12O4/c1-2-16-12(14)8-7-11-9-5-3-4-6-10(9)13(15)17-11/h3-7H,2,8H2,1H3/b11-7- |
| InChIKey | DYOCFGXHVRELEQ-XFFZJAGNSA-N |
| Molecular Weight | 232.235 g/mol |
| SMILES | C1(O\C(=C/CC(=O)OCC)C2=C1C=CC=C2)=O |