| SpectraBase Compound ID | BmwQ2Uonayl |
|---|---|
| InChI | InChI=1S/C13H10Cl2N4O/c1-7-9(6-16)13(17-8(2)20)19(18-7)12-10(14)4-3-5-11(12)15/h3-5H,1-2H3,(H,17,20) |
| InChIKey | NPOWNEFFYYMAMP-UHFFFAOYSA-N |
| Mol Weight | 309.16 g/mol |
| Molecular Formula | C13H10Cl2N4O |
| Exact Mass | 308.023166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDzbDwhQULN |
|---|---|
| Name | 5-Amino-4-cyano-1-(2,6-dichlorophenyl)-3-methylpyrazole, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.023166357 u |
| Formula | C13H10Cl2N4O |
| InChI | InChI=1S/C13H10Cl2N4O/c1-7-9(6-16)13(17-8(2)20)19(18-7)12-10(14)4-3-5-11(12)15/h3-5H,1-2H3,(H,17,20) |
| InChIKey | NPOWNEFFYYMAMP-UHFFFAOYSA-N |
| Molecular Weight | 309.156 g/mol |
| SMILES | C1(Cl)=C(C(=CC=C1)Cl)N1N=C(C(=C1NC(C)=O)C#N)C |