| SpectraBase Compound ID | 2bkUdUWG6wV |
|---|---|
| InChI | InChI=1S/C14H9N3O/c15-8-10-2-1-3-11(9-16)14(10)18-13-6-4-12(17)5-7-13/h1-7H,17H2 |
| InChIKey | DBKGQNIJZACCGX-UHFFFAOYSA-N |
| Mol Weight | 235.25 g/mol |
| Molecular Formula | C14H9N3O |
| Exact Mass | 235.074562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 56JOw8wobgl |
|---|---|
| Name | 2-(p-Aminophenoxy)isophthalonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.074561921 u |
| Formula | C14H9N3O |
| InChI | InChI=1S/C14H9N3O/c15-8-10-2-1-3-11(9-16)14(10)18-13-6-4-12(17)5-7-13/h1-7H,17H2 |
| InChIKey | DBKGQNIJZACCGX-UHFFFAOYSA-N |
| Molecular Weight | 235.246 g/mol |
| SMILES | NC=1C=CC(=CC1)OC1=C(C=CC=C1C#N)C#N |