| SpectraBase Compound ID | FhCcJrtHNFa |
|---|---|
| InChI | InChI=1S/C14H10N4/c15-8-10-5-6-13(11(16)7-10)18-9-17-12-3-1-2-4-14(12)18/h1-7,9H,16H2 |
| InChIKey | OJOFPYSKVZLBBN-UHFFFAOYSA-N |
| Mol Weight | 234.26 g/mol |
| Molecular Formula | C14H10N4 |
| Exact Mass | 234.090546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGOee8MaGFg |
|---|---|
| Name | 3-Amino-4-(1,3-benzodiazol-1-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.090546338 u |
| Formula | C14H10N4 |
| InChI | InChI=1S/C14H10N4/c15-8-10-5-6-13(11(16)7-10)18-9-17-12-3-1-2-4-14(12)18/h1-7,9H,16H2 |
| InChIKey | OJOFPYSKVZLBBN-UHFFFAOYSA-N |
| Molecular Weight | 234.262 g/mol |
| SMILES | C1=C2C(=CC=C1)N=CN2C1=C(C=C(C#N)C=C1)N |