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5-OXO-4-PHENYLAMINO-3-N-PROPYL-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL-ACETIC-ACID-PARA-METHOXYBENZYLIDENE-HYDRAZIDE
SpectraBase Compound ID 9vZMQAk751K
InChI InChI=1S/2C21H24N6O3/c2*1-3-7-19-25-26(21(29)27(19)24-17-8-5-4-6-9-17)15-20(28)23-22-14-16-10-12-18(30-2)13-11-16/h2*4-6,8-14,24H,3,7,15H2,1-2H3,(H,23,28)/b2*22-14+
InChIKey CDTVEGYJXLVGGZ-DXCQCZDNSA-N
Mol Weight 816.92 g/mol
Molecular Formula C42H48N12O6
Exact Mass 816.381977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfL8tZ6zA9G
Name 5-OXO-4-PHENYLAMINO-3-N-PROPYL-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL-ACETIC-ACID-PARA-METHOXYBENZYLIDENE-HYDRAZIDE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48N12O6
InChI InChI=1S/2C21H24N6O3/c2*1-3-7-19-25-26(21(29)27(19)24-17-8-5-4-6-9-17)15-20(28)23-22-14-16-10-12-18(30-2)13-11-16/h2*4-6,8-14,24H,3,7,15H2,1-2H3,(H,23,28)/b2*22-14+
InChIKey CDTVEGYJXLVGGZ-DXCQCZDNSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 816.920 g/mol
Solvent DMSO-D6
Source File Reference UWLU5944