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1-METHYLCARBONYL-3-(2-AMINO-5-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE

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1-METHYLCARBONYL-3-(2-AMINO-5-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID 2lqL4gtmt05
InChI InChI=1S/C11H12ClN3O/c1-7(16)15-5-4-11(14-15)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,13H2,1H3
InChIKey MRUMDSXVYJIVTA-UHFFFAOYSA-N
Mol Weight 237.69 g/mol
Molecular Formula C11H12ClN3O
Exact Mass 237.06689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9krnsH1Am3h
Name 1-METHYLCARBONYL-3-(2-AMINO-5-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12ClN3O
InChI InChI=1S/C11H12ClN3O/c1-7(16)15-5-4-11(14-15)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,13H2,1H3
InChIKey MRUMDSXVYJIVTA-UHFFFAOYSA-N
Literature Reference Author M.D.CARRION,M.CHAYAH,D.CHOQUESILLO-LAZARTE,M.A.GALLO,A.ESPIN OSA,A.ENTRENA
Literature Reference Citation MAGN.RES.CHEM.,50,58(2012)
Literature Reference DOI 10.1002/mrc.2843
Molecular Weight 237.689 g/mol
Solvent CD3OD
Source File Reference UWBT16000