![Ethyl N-[2-(4-chlorophenyl)-4-cyanopyrazol-3-yl]carboximidate](/api/spectrum/JNqa8WZSDZR/structure.png?h=300&w=458 "Ethyl N-[2-(4-chlorophenyl)-4-cyanopyrazol-3-yl]carboximidate")
| SpectraBase Compound ID | KW3yW37Vfmd |
|---|---|
| InChI | InChI=1S/C13H11ClN4O/c1-2-19-9-16-13-10(7-15)8-17-18(13)12-5-3-11(14)4-6-12/h3-6,8-9H,2H2,1H3/b16-9+ |
| InChIKey | ZNMZRXRWHWLCFT-CXUHLZMHSA-N |
| Mol Weight | 274.71 g/mol |
| Molecular Formula | C13H11ClN4O |
| Exact Mass | 274.062139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNqa8WZSDZR |
|---|---|
| Name | Ethyl N-[2-(4-chlorophenyl)-4-cyanopyrazol-3-yl]carboximidate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.062138689 u |
| Formula | C13H11ClN4O |
| InChI | InChI=1S/C13H11ClN4O/c1-2-19-9-16-13-10(7-15)8-17-18(13)12-5-3-11(14)4-6-12/h3-6,8-9H,2H2,1H3/b16-9+ |
| InChIKey | ZNMZRXRWHWLCFT-CXUHLZMHSA-N |
| SMILES | C1(=CC=C(C=C1)N1C(=C(C=N1)C#N)\N=C\OCC)Cl |