| SpectraBase Compound ID | LDJoJ2y1C0s |
|---|---|
| InChI | InChI=1S/C16H11NO4/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(16(20)21)8-12(11)15(17)19/h2-8H,1H3,(H,20,21) |
| InChIKey | XVDRNJOUTFCUSS-UHFFFAOYSA-N |
| Mol Weight | 281.27 g/mol |
| Molecular Formula | C16H11NO4 |
| Exact Mass | 281.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JpxYhuqULi |
|---|---|
| Name | 2-(2-Methylphenyl)-1,3-dioxo-5-isoindolinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.068807834 u |
| Formula | C16H11NO4 |
| InChI | InChI=1S/C16H11NO4/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(16(20)21)8-12(11)15(17)19/h2-8H,1H3,(H,20,21) |
| InChIKey | XVDRNJOUTFCUSS-UHFFFAOYSA-N |
| SMILES | C1(N(C(C2=C1C=C(C=C2)C(=O)O)=O)C1=C(C=CC=C1)C)=O |