| SpectraBase Compound ID | 63TM3I3rS4B |
|---|---|
| InChI | InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2 |
| InChIKey | IBSDSIHTMABATG-UHFFFAOYSA-N |
| Mol Weight | 203.2 g/mol |
| Molecular Formula | C11H9NO3 |
| Exact Mass | 203.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11qW2EHYgED |
|---|---|
| Name | 2H-Isoindole-2-propanal, 1,3-dihydro-1,3-dioxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.058243151 u |
| Formula | C11H9NO3 |
| InChI | InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2 |
| InChIKey | IBSDSIHTMABATG-UHFFFAOYSA-N |
| Molecular Weight | 203.197 g/mol |
| SMILES | C1(=O)C2=C(C=CC=C2)C(N1CCC=O)=O |