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5-Amino-4-cyano-1-(2,6-dichlorophenyl)-3-methylpyrazole, N,N-diacetyl-

View entire compound with spectra: 1 NMR

5-Amino-4-cyano-1-(2,6-dichlorophenyl)-3-methylpyrazole, N,N-diacetyl-
SpectraBase Compound ID 69z9bhgVIWZ
InChI InChI=1S/C15H12Cl2N4O2/c1-8-11(7-18)15(20(9(2)22)10(3)23)21(19-8)14-12(16)5-4-6-13(14)17/h4-6H,1-3H3
InChIKey XTRSOAOYULRSHR-UHFFFAOYSA-N
Mol Weight 351.19 g/mol
Molecular Formula C15H12Cl2N4O2
Exact Mass 350.033731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYcZqztwXVK
Name 5-Amino-4-cyano-1-(2,6-dichlorophenyl)-3-methylpyrazole, N,N-diacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.033731040 u
Formula C15H12Cl2N4O2
InChI InChI=1S/C15H12Cl2N4O2/c1-8-11(7-18)15(20(9(2)22)10(3)23)21(19-8)14-12(16)5-4-6-13(14)17/h4-6H,1-3H3
InChIKey XTRSOAOYULRSHR-UHFFFAOYSA-N
Molecular Weight 351.193 g/mol
SMILES C1(Cl)=C(C(=CC=C1)Cl)N1N=C(C(=C1N(C(=O)C)C(C)=O)C#N)C