![(Z)-Ethyl 3-oxo-4-[1-oxoisobenzofuran-3(1H)-ylidene]butanoate](/api/spectrum/68CmC5TyXR5/structure.png?h=300&w=458 "(Z)-Ethyl 3-oxo-4-[1-oxoisobenzofuran-3(1H)-ylidene]butanoate")
| SpectraBase Compound ID | EybCU88SlWM |
|---|---|
| InChI | InChI=1S/C14H12O5/c1-2-18-13(16)8-9(15)7-12-10-5-3-4-6-11(10)14(17)19-12/h3-7H,2,8H2,1H3/b12-7- |
| InChIKey | WPOBLRQWGODLCM-GHXNOFRVSA-N |
| Mol Weight | 260.24 g/mol |
| Molecular Formula | C14H12O5 |
| Exact Mass | 260.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68CmC5TyXR5 |
|---|---|
| Name | (Z)-Ethyl 3-oxo-4-[1-oxoisobenzofuran-3(1H)-ylidene]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.068473481 u |
| Formula | C14H12O5 |
| InChI | InChI=1S/C14H12O5/c1-2-18-13(16)8-9(15)7-12-10-5-3-4-6-11(10)14(17)19-12/h3-7H,2,8H2,1H3/b12-7- |
| InChIKey | WPOBLRQWGODLCM-GHXNOFRVSA-N |
| Molecular Weight | 260.245 g/mol |
| SMILES | C1(O\C(C2=C1C=CC=C2)=C\C(CC(=O)OCC)=O)=O |