| SpectraBase Compound ID | 8dnUmjOfreO |
|---|---|
| InChI | InChI=1S/C11H9NO3/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(12)15/h3-6H,2H2,1H3 |
| InChIKey | IHNYAHBLLCMRCD-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 | 4BJxWamYGSw |
|---|---|
| Name | 1H-Isoindole-2,3(2H)-dione, 1-propionyl- |
| 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/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(12)15/h3-6H,2H2,1H3 |
| InChIKey | IHNYAHBLLCMRCD-UHFFFAOYSA-N |
| Molecular Weight | 203.197 g/mol |
| SMILES | C12=C(C(=O)C(N2C(CC)=O)=O)C=CC=C1 |