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N-(2,6-dichlorophenyl)-1-methyl-3-(4-morpholinylcarbonyl)-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 4bpwMmunZYl
InChI InChI=1S/C16H16Cl2N4O3/c1-21-13(15(23)19-14-10(17)3-2-4-11(14)18)9-12(20-21)16(24)22-5-7-25-8-6-22/h2-4,9H,5-8H2,1H3,(H,19,23)
InChIKey KMTFWXVRKWEYNO-UHFFFAOYSA-N
Mol Weight 383.24 g/mol
Molecular Formula C16H16Cl2N4O3
Exact Mass 382.059946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7Pgj1TvsM7
Name N-(2,6-Dichlorophenyl)-1-methyl-3-(4-morpholinylcarbonyl)-1H-pyrazole-5-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 382.059945788 u
Formula C16H16Cl2N4O3
InChI InChI=1S/C16H16Cl2N4O3/c1-21-13(15(23)19-14-10(17)3-2-4-11(14)18)9-12(20-21)16(24)22-5-7-25-8-6-22/h2-4,9H,5-8H2,1H3,(H,19,23)
InChIKey KMTFWXVRKWEYNO-UHFFFAOYSA-N
Molecular Weight 383.235 g/mol
SMILES N(C(C1=CC(=NN1C)C(N1CCOCC1)=O)=O)C=1C(Cl)=CC=CC1Cl