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1-ETHYLCARBONYL-3-(2-AMINO-5-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID Iq2tXK0vMre
InChI InChI=1S/C12H14ClN3O/c1-2-12(17)16-6-5-11(15-16)9-7-8(13)3-4-10(9)14/h3-4,7H,2,5-6,14H2,1H3
InChIKey ZHICWIHZRWLNLD-UHFFFAOYSA-N
Mol Weight 251.72 g/mol
Molecular Formula C12H14ClN3O
Exact Mass 251.08254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgAu3ADn5Z3
Name 1-ETHYLCARBONYL-3-(2-AMINO-5-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14ClN3O
InChI InChI=1S/C12H14ClN3O/c1-2-12(17)16-6-5-11(15-16)9-7-8(13)3-4-10(9)14/h3-4,7H,2,5-6,14H2,1H3
InChIKey ZHICWIHZRWLNLD-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 251.716 g/mol
Solvent CD3OD
Source File Reference UWBT16001