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METHYL-2,2-BIS-(2,5-DIPHENYL-1,2,4-TRIAZOL-3-YL)-ACETATE

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METHYL-2,2-BIS-(2,5-DIPHENYL-1,2,4-TRIAZOL-3-YL)-ACETATE
SpectraBase Compound ID DAcZZmqGlJ8
InChI InChI=1S/C31H24N6O2/c1-39-31(38)26(29-32-27(22-14-6-2-7-15-22)34-36(29)24-18-10-4-11-19-24)30-33-28(23-16-8-3-9-17-23)35-37(30)25-20-12-5-13-21-25/h2-21,26H,1H3
InChIKey XMALKFVZOVBCPC-UHFFFAOYSA-N
Mol Weight 512.57 g/mol
Molecular Formula C31H24N6O2
Exact Mass 512.196074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wdcO23nC2N
Name METHYL-2,2-BIS-(2,5-DIPHENYL-1,2,4-TRIAZOL-3-YL)-ACETATE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H24N6O2
InChI InChI=1S/C31H24N6O2/c1-39-31(38)26(29-32-27(22-14-6-2-7-15-22)34-36(29)24-18-10-4-11-19-24)30-33-28(23-16-8-3-9-17-23)35-37(30)25-20-12-5-13-21-25/h2-21,26H,1H3
InChIKey XMALKFVZOVBCPC-UHFFFAOYSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation HELV.CHIM.ACTA,74,501(1991)
Literature Reference DOI 10.1002/hlca.19910740306
Molecular Weight 512.571 g/mol
Solvent CDCl3
Source File Reference UWVP5952