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3-(4'-NITROPHENYL)-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER
SpectraBase Compound ID BMGfiT87uaD
InChI InChI=1S/C12H10Cl3N3O5/c1-23-10(19)17-11(20,12(13,14)15)6-9(16-17)7-2-4-8(5-3-7)18(21)22/h2-5,20H,6H2,1H3
InChIKey AJHASQDJHUDOBS-UHFFFAOYSA-N
Mol Weight 382.59 g/mol
Molecular Formula C12H10Cl3N3O5
Exact Mass 380.968604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJ1SnEw4sx9
Name 3-(4'-NITROPHENYL)-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER
Compound Number 2L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10Cl3N3O5
InChI InChI=1S/C12H10Cl3N3O5/c1-23-10(19)17-11(20,12(13,14)15)6-9(16-17)7-2-4-8(5-3-7)18(21)22/h2-5,20H,6H2,1H3
InChIKey AJHASQDJHUDOBS-UHFFFAOYSA-N
Literature Reference Author M.A.P.MARTINS,P.BECK,P.MACHADO,S.BRONDANI,S.MOURA,N.ZANATTA, H.G.BONACORSO
Literature Reference Citation J.BRAZ.CHEM.SOC.,17,408(2006)
Literature Reference DOI 10.1590/s0103-50532006000200027
Molecular Weight 382.588 g/mol
Source File Reference UWIR4933