| SpectraBase Compound ID | KFCMfORYWM8 |
|---|---|
| InChI | InChI=1S/C17H13NO4/c19-16-12-3-1-2-4-13(12)17(20)18(16)8-7-11-5-6-14-15(9-11)22-10-21-14/h1-6,9H,7-8,10H2 |
| InChIKey | VMGIHFIMUNKMLY-UHFFFAOYSA-N |
| Mol Weight | 295.29 g/mol |
| Molecular Formula | C17H13NO4 |
| Exact Mass | 295.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL7oZMaEmoV |
|---|---|
| Name | 2-Homopiperonylisoindoline-1,3-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.084457899 u |
| Formula | C17H13NO4 |
| InChI | InChI=1S/C17H13NO4/c19-16-12-3-1-2-4-13(12)17(20)18(16)8-7-11-5-6-14-15(9-11)22-10-21-14/h1-6,9H,7-8,10H2 |
| InChIKey | VMGIHFIMUNKMLY-UHFFFAOYSA-N |
| Molecular Weight | 295.294 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)CCC=1C=C2OCOC2=CC1)=O |