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3-METHYL-4,4-BIS-(4-NITROPHENOXY)-1-PHENYLPYRAZOLIN-5-ONE

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3-METHYL-4,4-BIS-(4-NITROPHENOXY)-1-PHENYLPYRAZOLIN-5-ONE
SpectraBase Compound ID 8kJKR6RTwmi
InChI InChI=1S/C22H16N4O7/c1-15-22(32-19-11-7-17(8-12-19)25(28)29,33-20-13-9-18(10-14-20)26(30)31)21(27)24(23-15)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey SIMMPZJJZJNDEP-UHFFFAOYSA-N
Mol Weight 448.39 g/mol
Molecular Formula C22H16N4O7
Exact Mass 448.101899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlStQJ2nTc7
Name 3-METHYL-4,4-BIS-(4-NITROPHENOXY)-1-PHENYLPYRAZOLIN-5-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N4O7
InChI InChI=1S/C22H16N4O7/c1-15-22(32-19-11-7-17(8-12-19)25(28)29,33-20-13-9-18(10-14-20)26(30)31)21(27)24(23-15)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey SIMMPZJJZJNDEP-UHFFFAOYSA-N
Literature Reference Author K.KIRSCHKE,R.J.KUBAN,B.SCHULZ
Literature Reference Citation J.PRAKT.CHEM.,330,517(1988)
Literature Reference DOI 10.1002/prac.19883300404
Molecular Weight 448.392 g/mol
Solvent DMSO-D6
Source File Reference UWED13613