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PQCABYJRTMNPJP-UHFFFAOYSA-N
SpectraBase Compound ID E3JPECo1YlI
InChI InChI=1S/C13H12N4O4/c1-8-10-3-2-4-11(10)15(14-8)12-6-5-9(16(18)19)7-13(12)17(20)21/h5-7H,2-4H2,1H3
InChIKey PQCABYJRTMNPJP-UHFFFAOYSA-N
Mol Weight 288.26 g/mol
Molecular Formula C13H12N4O4
Exact Mass 288.085855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kf8jouVrXUM
Name DIHYDRO-1-(2',4'-DINITROPHENYL)-3-METHYL-1H-CYCLOPENTAPYRAZOLE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N4O4
InChI InChI=1S/C13H12N4O4/c1-8-10-3-2-4-11(10)15(14-8)12-6-5-9(16(18)19)7-13(12)17(20)21/h5-7H,2-4H2,1H3
InChIKey PQCABYJRTMNPJP-UHFFFAOYSA-N
Literature Reference Author J.ELGUERO,A.MARTINEZ,S.P.SINGH,D.KUMAR
Literature Reference Citation J.HETCYCL.CHEM.,28,647(1991)
Literature Reference DOI 10.1002/jhet.5570280319
Molecular Weight 288.263 g/mol
Solvent CDCl3
Source File Reference UWCS22054