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5-(3-NITROSO-3-METHYLBUTYL)-1,3-DIPHENYLPYRAZOLE;MIXTURE_OF_ISOMERS

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5-(3-NITROSO-3-METHYLBUTYL)-1,3-DIPHENYLPYRAZOLE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID FJJtVQBzzQU
InChI InChI=1S/2C20H21N3O/c2*1-20(2,22-24)14-13-18-15-19(16-9-5-3-6-10-16)21-23(18)17-11-7-4-8-12-17/h2*3-12,15H,13-14H2,1-2H3
InChIKey UKPVRTCBNKPCLF-UHFFFAOYSA-N
Mol Weight 638.82 g/mol
Molecular Formula C40H42N6O2
Exact Mass 638.336925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXDdJwkt7Pi
Name 5-(3-NITROSO-3-METHYLBUTYL)-1,3-DIPHENYLPYRAZOLE;MIXTURE_OF_ISOMERS
Compound Number XVII-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42N6O2
InChI InChI=1S/2C20H21N3O/c2*1-20(2,22-24)14-13-18-15-19(16-9-5-3-6-10-16)21-23(18)17-11-7-4-8-12-17/h2*3-12,15H,13-14H2,1-2H3
InChIKey UKPVRTCBNKPCLF-UHFFFAOYSA-N
Literature Reference Author V.A.REZNIKOVANDL,B.VOLODARSKII
Literature Reference Citation CHEM.HET.COMP.,32,652(1996)
Literature Reference DOI 10.1007/bf01164863
Molecular Weight 638.812 g/mol
Solvent CDCl3
Source File Reference UWMZ14719