| SpectraBase Compound ID | Id6XInftBtE |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c15-11(9-3-1-7-13-9)5-6-12(16)10-4-2-8-14-10/h1-4,7-8,13-14H,5-6H2 |
| InChIKey | NADDBGDWHNFCOT-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GnVql53YHy |
|---|---|
| Name | 1,4-di(Pyrrol-2-yl)-1,4-butanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.089877632 u |
| Formula | C12H12N2O2 |
| InChI | InChI=1S/C12H12N2O2/c15-11(9-3-1-7-13-9)5-6-12(16)10-4-2-8-14-10/h1-4,7-8,13-14H,5-6H2 |
| InChIKey | NADDBGDWHNFCOT-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | N1C(C(CCC(C2=CC=CN2)=O)=O)=CC=C1 |