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5-OXO-4-PHENYLAMINO-3-N-PROPYL-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL-ACETIC-ACID-ORTHO-HYDROXYBENZYLIDENE-HYDRAZIDE
SpectraBase Compound ID 2iBTYsguxS5
InChI InChI=1S/2C20H22N6O3/c2*1-2-8-18-24-25(20(29)26(18)23-16-10-4-3-5-11-16)14-19(28)22-21-13-15-9-6-7-12-17(15)27/h2*3-7,9-13,23,27H,2,8,14H2,1H3,(H,22,28)/b2*21-13+
InChIKey NGZIFPQHIDUKLS-YYSFMETRSA-N
Mol Weight 788.87 g/mol
Molecular Formula C40H44N12O6
Exact Mass 788.350677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKm5cMkIc2r
Name 5-OXO-4-PHENYLAMINO-3-N-PROPYL-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL-ACETIC-ACID-ORTHO-HYDROXYBENZYLIDENE-HYDRAZIDE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N12O6
InChI InChI=1S/2C20H22N6O3/c2*1-2-8-18-24-25(20(29)26(18)23-16-10-4-3-5-11-16)14-19(28)22-21-13-15-9-6-7-12-17(15)27/h2*3-7,9-13,23,27H,2,8,14H2,1H3,(H,22,28)/b2*21-13+
InChIKey NGZIFPQHIDUKLS-YYSFMETRSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 788.866 g/mol
Solvent DMSO-D6
Source File Reference UWLU5945