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1-(2,4-Dinitrophenyl)-3,5-diphenyl-4-[(m-nitrophenyl)azo]pyrazole

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1-(2,4-Dinitrophenyl)-3,5-diphenyl-4-[(m-nitrophenyl)azo]pyrazole
SpectraBase Compound ID BiZxuaEOlct
InChI InChI=1S/C27H17N7O6/c35-32(36)21-13-7-12-20(16-21)28-29-26-25(18-8-3-1-4-9-18)30-31(27(26)19-10-5-2-6-11-19)23-15-14-22(33(37)38)17-24(23)34(39)40/h1-17H/b29-28+
InChIKey BOMSGJKRTTWBSW-ZQHSETAFSA-N
Mol Weight 535.48 g/mol
Molecular Formula C27H17N7O6
Exact Mass 535.124031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5A6oNJXiW89
Name 1-(2,4-Dinitrophenyl)-3,5-diphenyl-4-[(m-nitrophenyl)azo]pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.124031289 u
Formula C27H17N7O6
InChI InChI=1S/C27H17N7O6/c35-32(36)21-13-7-12-20(16-21)28-29-26-25(18-8-3-1-4-9-18)30-31(27(26)19-10-5-2-6-11-19)23-15-14-22(33(37)38)17-24(23)34(39)40/h1-17H/b29-28+
InChIKey BOMSGJKRTTWBSW-ZQHSETAFSA-N
Molecular Weight 535.476 g/mol
SMILES N(=O)(=O)C1=C(C=CC(=C1)N(=O)=O)N1N=C(C(\N=N\C2=CC=CC(=C2)N(=O)=O)=C1C=1C=CC=CC1)C=1C=CC=CC1