| SpectraBase Compound ID | 2DSm9iL5ZP3 |
|---|---|
| InChI | InChI=1S/C18H9N3O2/c19-9-11-4-3-5-12(8-11)21-15(10-20)16-17(22)13-6-1-2-7-14(13)18(16)23/h1-8,21H |
| InChIKey | RWVRWIQQWIVLFR-UHFFFAOYSA-N |
| Mol Weight | 299.29 g/mol |
| Molecular Formula | C18H9N3O2 |
| Exact Mass | 299.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxdgiYjHPKq |
|---|---|
| Name | alpha-(m-Cyanoanilino)-1,3-dioxo-delta^2^,^alpha-indanacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.069476540 u |
| Formula | C18H9N3O2 |
| InChI | InChI=1S/C18H9N3O2/c19-9-11-4-3-5-12(8-11)21-15(10-20)16-17(22)13-6-1-2-7-14(13)18(16)23/h1-8,21H |
| InChIKey | RWVRWIQQWIVLFR-UHFFFAOYSA-N |
| SMILES | N(C=1C=C(C=CC1)C#N)C(=C1C(C=2C=CC=CC2C1=O)=O)C#N |