| SpectraBase Compound ID | 42NJRR0lakn |
|---|---|
| InChI | InChI=1S/C11H8N2O6/c14-9(15)3-4-12-10(16)7-2-1-6(13(18)19)5-8(7)11(12)17/h1-2,5H,3-4H2,(H,14,15) |
| InChIKey | QBEACOFSGRMPEK-UHFFFAOYSA-N |
| Mol Weight | 264.19 g/mol |
| Molecular Formula | C11H8N2O6 |
| Exact Mass | 264.038236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVGDd2Cez7c |
|---|---|
| Name | 3-(5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.038235980 u |
| Formula | C11H8N2O6 |
| InChI | InChI=1S/C11H8N2O6/c14-9(15)3-4-12-10(16)7-2-1-6(13(18)19)5-8(7)11(12)17/h1-2,5H,3-4H2,(H,14,15) |
| InChIKey | QBEACOFSGRMPEK-UHFFFAOYSA-N |
| SMILES | C(N1C(C2=CC(N(=O)=O)=CC=C2C1=O)=O)CC(=O)O |