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NSKBPBRQBKEKKU-UHFFFAOYSA-N
SpectraBase Compound ID 1Vc9roHB0z7
InChI InChI=1S/C18H19N3O5/c1-12(22)3-5-16-11-17(18(24)10-4-13(2)23)19-20(16)14-6-8-15(9-7-14)21(25)26/h6-9,11H,3-5,10H2,1-2H3
InChIKey NSKBPBRQBKEKKU-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C18H19N3O5
Exact Mass 357.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FgzgLDWnQf
Name 3-(1,4-DIOXOPENTYL)-5-(3-OXOBUTYL)-1-(4-NITROPHENYL)-PYRAZOLE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19N3O5
InChI InChI=1S/C18H19N3O5/c1-12(22)3-5-16-11-17(18(24)10-4-13(2)23)19-20(16)14-6-8-15(9-7-14)21(25)26/h6-9,11H,3-5,10H2,1-2H3
InChIKey NSKBPBRQBKEKKU-UHFFFAOYSA-N
Literature Reference Author B.ALCAIDE,C.DOMINGUEZ,A.G.CSAKY,J.PLUMET
Literature Reference Citation HETEROCYCLES,30,831(1990)
Literature Reference DOI 10.3987/COM-89-S31
Molecular Weight 357.366 g/mol
Solvent CDCl3
Source File Reference UWMK172