| SpectraBase Compound ID | 4e01ajavAkz |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-2-16-12(15)9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6,9H,2H2,1H3 |
| InChIKey | PVCYZWDBTRWGCB-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1grYSIyFbk3 |
|---|---|
| Name | 2H-Indene-1,3-dione-2-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c1-2-16-12(15)9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6,9H,2H2,1H3 |
| InChIKey | PVCYZWDBTRWGCB-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C1(=O)C2=CC=CC=C2C(C1C(=O)OCC)=O |