| SpectraBase Compound ID | GtTyOZlGW7b |
|---|---|
| InChI | InChI=1S/C12H13NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2 |
| InChIKey | FWNCNQDIENYPDJ-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C12H13NO3 |
| Exact Mass | 219.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61faC6FfDtk |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxybutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.089543280 u |
| Formula | C12H13NO3 |
| InChI | InChI=1S/C12H13NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2 |
| InChIKey | FWNCNQDIENYPDJ-UHFFFAOYSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)CCCCO)=O |