| SpectraBase Compound ID | KzkS6XceLzl |
|---|---|
| InChI | InChI=1S/C14H10N4/c15-8-10-7-11(16)5-6-13(10)18-9-17-12-3-1-2-4-14(12)18/h1-7,9H,16H2 |
| InChIKey | GECMPTWLGAOHJM-UHFFFAOYSA-N |
| Mol Weight | 234.26 g/mol |
| Molecular Formula | C14H10N4 |
| Exact Mass | 234.090546 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 | HjP680VYdzR |
|---|---|
| Name | 5-Amino-2-(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/c15-8-10-7-11(16)5-6-13(10)18-9-17-12-3-1-2-4-14(12)18/h1-7,9H,16H2 |
| InChIKey | GECMPTWLGAOHJM-UHFFFAOYSA-N |
| Molecular Weight | 234.262 g/mol |
| SMILES | C1=C2C(=CC=C1)N=CN2C=1C(C#N)=CC(=CC1)N |