| SpectraBase Compound ID | xses48r0rl |
|---|---|
| InChI | InChI=1S/C16H14N2O4/c17-10-1-3-11(4-2-10)22-12-5-6-13-14(9-12)16(21)18(7-8-19)15(13)20/h1-6,9,19H,7-8,17H2 |
| InChIKey | BETKXQKGGUOWKV-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C16H14N2O4 |
| Exact Mass | 298.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTsgbwtDD7u |
|---|---|
| Name | 5-(4-Aminophenoxy)-2-(2-hydroxyethyl)-1H-isoindole-1,3(2H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.095356935 u |
| Formula | C16H14N2O4 |
| InChI | InChI=1S/C16H14N2O4/c17-10-1-3-11(4-2-10)22-12-5-6-13-14(9-12)16(21)18(7-8-19)15(13)20/h1-6,9,19H,7-8,17H2 |
| InChIKey | BETKXQKGGUOWKV-UHFFFAOYSA-N |
| Molecular Weight | 298.298 g/mol |
| SMILES | OCCN1C(C2=CC(OC3=CC=C(C=C3)N)=CC=C2C1=O)=O |