| SpectraBase Compound ID | AKAATsJIzHw |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-2-15-11(13)7-10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10H,2,7H2,1H3 |
| InChIKey | BAJHDQGDIOXFJC-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJqV7G4WNGW |
|---|---|
| Name | 2-(3-oxo-1H-Isobenzofuran-1-yl)acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-2-15-11(13)7-10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10H,2,7H2,1H3 |
| InChIKey | BAJHDQGDIOXFJC-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1(OC(CC(=O)OCC)C2=C1C=CC=C2)=O |