| SpectraBase Compound ID | 3K5hzfVEjqr |
|---|---|
| InChI | InChI=1S/C11H7N3O2/c12-14-6-10(15)11(16)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H |
| InChIKey | JYRUMBPAJSTCRT-UHFFFAOYSA-N |
| Mol Weight | 213.2 g/mol |
| Molecular Formula | C11H7N3O2 |
| Exact Mass | 213.053826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTc0KOMIOiw |
|---|---|
| Name | 3-(1.Lambda.(5)-diazynylidene)-1-(1H-indol-3-yl)-1,2-propanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.053826475 u |
| Formula | C11H7N3O2 |
| InChI | InChI=1S/C11H7N3O2/c12-14-6-10(15)11(16)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H |
| InChIKey | JYRUMBPAJSTCRT-UHFFFAOYSA-N |
| Molecular Weight | 213.196 g/mol |
| SMILES | N1C=C(c2ccccc12)C(=O)C(=O)C=N#N |