![9-Methylbenzo[e]isobenzofuran-1,3-dione](/api/spectrum/69djWdv3HF3/structure.png?h=300&w=458 "9-Methylbenzo[e]isobenzofuran-1,3-dione")
| SpectraBase Compound ID | 23I0v0K9mX8 |
|---|---|
| InChI | InChI=1S/C13H8O3/c1-7-3-2-4-8-5-6-9-11(10(7)8)13(15)16-12(9)14/h2-6H,1H3 |
| InChIKey | NESUCGJMEKIZFB-UHFFFAOYSA-N |
| Mol Weight | 212.2 g/mol |
| Molecular Formula | C13H8O3 |
| Exact Mass | 212.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69djWdv3HF3 |
|---|---|
| Name | 9-Methylbenzo[E]isobenzofuran-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.047344115 u |
| Formula | C13H8O3 |
| InChI | InChI=1S/C13H8O3/c1-7-3-2-4-8-5-6-9-11(10(7)8)13(15)16-12(9)14/h2-6H,1H3 |
| InChIKey | NESUCGJMEKIZFB-UHFFFAOYSA-N |
| Molecular Weight | 212.204 g/mol |
| SMILES | C1(C=2C(=CC=C3C2C(=CC=C3)C)C(O1)=O)=O |