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3-METHYL-5-[(Z)-3-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-2,4-DIPHENYL-1-[(Z)-1-PHENYLMETHYLIDENE]-3-BUTENYL]-4-NITROISOXAZOLE
SpectraBase Compound ID 8IPhJRMpCQC
InChI InChI=1S/C31H24N4O6/c1-20-28(34(36)37)30(40-32-20)25(18-22-12-6-3-7-13-22)27(24-16-10-5-11-17-24)26(19-23-14-8-4-9-15-23)31-29(35(38)39)21(2)33-41-31/h3-19,27H,1-2H3/b25-18-,26-19-
InChIKey SNBIEVZQROHRNE-HSLKWFPPSA-N
Mol Weight 548.56 g/mol
Molecular Formula C31H24N4O6
Exact Mass 548.169585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID s1KlsMzBSI
Name 3-METHYL-5-[(Z)-3-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-2,4-DIPHENYL-1-[(Z)-1-PHENYLMETHYLIDENE]-3-BUTENYL]-4-NITROISOXAZOLE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H24N4O6
InChI InChI=1S/C31H24N4O6/c1-20-28(34(36)37)30(40-32-20)25(18-22-12-6-3-7-13-22)27(24-16-10-5-11-17-24)26(19-23-14-8-4-9-15-23)31-29(35(38)39)21(2)33-41-31/h3-19,27H,1-2H3/b25-18-,26-19-
InChIKey SNBIEVZQROHRNE-HSLKWFPPSA-N
Literature Reference Author E.RAJANARENDAR,S.RAJU,A.S.R.REDDY,K.G.REDDY,M.N.REDDY
Literature Reference Citation CHEM.PHARM.BULL.,58,833(2010)
Literature Reference DOI 10.1248/cpb.58.833
Molecular Weight 548.555 g/mol
Source File Reference UWBT3644