| SpectraBase Compound ID | HAe2Bu0HjFt |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-8(14)6-7-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3 |
| InChIKey | ONTXCMXICQNNNO-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5dNT19q7Yh |
|---|---|
| Name | 2-(3-Oxobutyl)-1H-isoindole-1,3(2H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.073893215 u |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-8(14)6-7-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3 |
| InChIKey | ONTXCMXICQNNNO-UHFFFAOYSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | C1(N(C(C2=C1C=CC=C2)=O)CCC(=O)C)=O |