| SpectraBase Compound ID | AXgppDI3gq0 |
|---|---|
| InChI | InChI=1S/C11H10N2O4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4,12H2,(H,14,15) |
| InChIKey | FDACDSZVCFDGGT-UHFFFAOYSA-N |
| Mol Weight | 234.21 g/mol |
| Molecular Formula | C11H10N2O4 |
| Exact Mass | 234.064057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bftfbhiv8Yc |
|---|---|
| Name | 3-(5-Amino-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 | 234.064056806 u |
| Formula | C11H10N2O4 |
| InChI | InChI=1S/C11H10N2O4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4,12H2,(H,14,15) |
| InChIKey | FDACDSZVCFDGGT-UHFFFAOYSA-N |
| Molecular Weight | 234.211 g/mol |
| SMILES | C1(N(C(C2=CC=C(C=C12)N)=O)CCC(=O)O)=O |