![1,3-Dioxo-alpha-{[(3-pyridyl)methyl]amino}-DELTA2,alpha-indanacetonitrile](/api/spectrum/6LJ79eLbc0T/structure.png?h=300&w=458 "1,3-Dioxo-alpha-{[(3-pyridyl)methyl]amino}-DELTA2,alpha-indanacetonitrile")
| SpectraBase Compound ID | 5kEdtkStzZj |
|---|---|
| InChI | InChI=1S/C17H11N3O2/c18-8-14(20-10-11-4-3-7-19-9-11)15-16(21)12-5-1-2-6-13(12)17(15)22/h1-7,9,20H,10H2 |
| InChIKey | KYACXMGZWDQHOZ-UHFFFAOYSA-N |
| Mol Weight | 289.29 g/mol |
| Molecular Formula | C17H11N3O2 |
| Exact Mass | 289.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6LJ79eLbc0T |
|---|---|
| Name | 1,3-Dioxo-alpha-{[(3-pyridyl)methyl]amino}-DELTA2,alpha-indanacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.085126604 u |
| Formula | C17H11N3O2 |
| InChI | InChI=1S/C17H11N3O2/c18-8-14(20-10-11-4-3-7-19-9-11)15-16(21)12-5-1-2-6-13(12)17(15)22/h1-7,9,20H,10H2 |
| InChIKey | KYACXMGZWDQHOZ-UHFFFAOYSA-N |
| SMILES | N(C(=C1C(C=2C=CC=CC2C1=O)=O)C#N)CC=1C=NC=CC1 |