![2-[(Z)-(2-ketotetrahydrofuran-3-ylidene)methyl]benzoic acid methyl ester](/api/spectrum/349iYa6zz3w/structure.png?h=300&w=458 "2-[(Z)-(2-ketotetrahydrofuran-3-ylidene)methyl]benzoic acid methyl ester")
| SpectraBase Compound ID | IC0ZLnFhAzI |
|---|---|
| InChI | InChI=1S/C13H12O4/c1-16-13(15)11-5-3-2-4-9(11)8-10-6-7-17-12(10)14/h2-5,8H,6-7H2,1H3/b10-8- |
| InChIKey | ZNLWYVBXCYKABK-NTMALXAHSA-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 | 349iYa6zz3w |
|---|---|
| Name | 2-[(Z)-(2-Ketotetrahydrofuran-3-ylidene)methyl]benzoic acid methyl ester |
| 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/c1-16-13(15)11-5-3-2-4-9(11)8-10-6-7-17-12(10)14/h2-5,8H,6-7H2,1H3/b10-8- |
| InChIKey | ZNLWYVBXCYKABK-NTMALXAHSA-N |
| Molecular Weight | 232.235 g/mol |
| SMILES | C1(\C(=C/C=2C(C(=O)OC)=CC=CC2)CCO1)=O |