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DIETHYL-2,2'-[4,4'-(HEXANE-1,6-DIYL)-BIS-(3-METHYL-5-OXO-4,5-DIHYDRO-1,2,4-TRIAZOLE-4,1-DIYL)]-DIACETATE
SpectraBase Compound ID 7psmgw7hciB
InChI InChI=1S/C20H32N6O6/c1-5-31-17(27)13-25-19(29)23(15(3)21-25)11-9-7-8-10-12-24-16(4)22-26(20(24)30)14-18(28)32-6-2/h5-14H2,1-4H3
InChIKey VCWPGMCEPQZTPA-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C20H32N6O6
Exact Mass 452.238333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcVrth6vhzT
Name DIETHYL-2,2'-[4,4'-(HEXANE-1,6-DIYL)-BIS-(3-METHYL-5-OXO-4,5-DIHYDRO-1,2,4-TRIAZOLE-4,1-DIYL)]-DIACETATE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32N6O6
InChI InChI=1S/C20H32N6O6/c1-5-31-17(27)13-25-19(29)23(15(3)21-25)11-9-7-8-10-12-24-16(4)22-26(20(24)30)14-18(28)32-6-2/h5-14H2,1-4H3
InChIKey VCWPGMCEPQZTPA-UHFFFAOYSA-N
Literature Reference Author E.DUGDU,Y.UNVER,D.UNLUER,K.SANCAK
Literature Reference Citation MOLECULES,19,2199(2014)
Literature Reference DOI 10.3390/molecules19022199
Molecular Weight 452.511 g/mol
Solvent DMSO-D6
Source File Reference UWBT14595