| SpectraBase Compound ID | 6I72ZKbivxy |
|---|---|
| InChI | InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2 |
| InChIKey | WXXSHAKLDCERGU-UHFFFAOYSA-N |
| Mol Weight | 248.24 g/mol |
| Molecular Formula | C12H12N2O4 |
| Exact Mass | 248.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LtQZU9QiExG |
|---|---|
| Name | 1H-Pyrrole-2,5-dione, 1,1'-(1,4-butanediyl)bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.079706870 u |
| Formula | C12H12N2O4 |
| InChI | InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2 |
| InChIKey | WXXSHAKLDCERGU-UHFFFAOYSA-N |
| Molecular Weight | 248.238 g/mol |
| SMILES | C(CN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O |