![4-[(3'-Oxo-2'-cyanobut-1'-enyl)amino]-1H-(1,2,3)-benzotriazole](/api/spectrum/4PwRtXdY5yL/structure.png?h=300&w=458 "4-[(3'-Oxo-2'-cyanobut-1'-enyl)amino]-1H-(1,2,3)-benzotriazole")
| SpectraBase Compound ID | L6oPIWvHnkO |
|---|---|
| InChI | InChI=1S/C11H9N5O/c1-7(17)8(5-12)6-13-9-3-2-4-10-11(9)15-16-14-10/h2-4,6,13H,1H3,(H,14,15,16)/b8-6+ |
| InChIKey | FLQFWIUJOGKFGA-SOFGYWHQSA-N |
| Mol Weight | 227.23 g/mol |
| Molecular Formula | C11H9N5O |
| Exact Mass | 227.08071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PwRtXdY5yL |
|---|---|
| Name | 4-[(3'-oxo-2'-Cyanobut-1'-enyl)amino]-1H-(1,2,3)-benzotriazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.080709929 u |
| Formula | C11H9N5O |
| InChI | InChI=1S/C11H9N5O/c1-7(17)8(5-12)6-13-9-3-2-4-10-11(9)15-16-14-10/h2-4,6,13H,1H3,(H,14,15,16)/b8-6+ |
| InChIKey | FLQFWIUJOGKFGA-SOFGYWHQSA-N |
| Molecular Weight | 227.227 g/mol |
| SMILES | C1=2N=NNC1=CC=CC2N\C=C/(C#N)C(=O)C |