| SpectraBase Compound ID | 1uOZlPvKUB2 |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c1-2-21-16(20)13-5-9-15(10-6-13)19-18-14-7-3-12(11-17)4-8-14/h3-10H,2H2,1H3/b19-18+ |
| InChIKey | JKERGKOBMRWDKF-VHEBQXMUSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C16H13N3O2 |
| Exact Mass | 279.100777 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 | FArSMtWSY80 |
|---|---|
| Name | 4-Cyano-4'-ethoxycarbonylazobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.100776669 u |
| Formula | C16H13N3O2 |
| InChI | InChI=1S/C16H13N3O2/c1-2-21-16(20)13-5-9-15(10-6-13)19-18-14-7-3-12(11-17)4-8-14/h3-10H,2H2,1H3/b19-18+ |
| InChIKey | JKERGKOBMRWDKF-VHEBQXMUSA-N |
| SMILES | C1(=CC=C(C=C1)C#N)\N=N\C1=CC=C(C=C1)C(OCC)=O |