| SpectraBase Compound ID | D8xzLDBWh4H |
|---|---|
| InChI | InChI=1S/C11H8O3/c1-7(12)6-10-8-4-2-3-5-9(8)11(13)14-10/h2-6H,1H3/b10-6- |
| InChIKey | MXZRGSMAHOIMEV-POHAHGRESA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C11H8O3 |
| Exact Mass | 188.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1905x3w72B |
|---|---|
| Name | (Z)-3-(2-Oxopropylidene)-3H-isobenzofuran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.047344115 u |
| Formula | C11H8O3 |
| InChI | InChI=1S/C11H8O3/c1-7(12)6-10-8-4-2-3-5-9(8)11(13)14-10/h2-6H,1H3/b10-6- |
| InChIKey | MXZRGSMAHOIMEV-POHAHGRESA-N |
| Molecular Weight | 188.182 g/mol |
| SMILES | C1(O\C(C2=C1C=CC=C2)=C\C(=O)C)=O |