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DIETHYL-2,2'-[4,4'-(BUTANE-1,4-DIYL)-BIS-(3-METHYL-5-OXO-4,5-DIHYDRO-1,2,4-TRIAZOLE-4,1-DIYL)]-DIACETATE
SpectraBase Compound ID 1GNvL54jkOR
InChI InChI=1S/C18H28N6O6/c1-5-29-15(25)11-23-17(27)21(13(3)19-23)9-7-8-10-22-14(4)20-24(18(22)28)12-16(26)30-6-2/h5-12H2,1-4H3
InChIKey IZHGSGXAHXXUQU-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C18H28N6O6
Exact Mass 424.207033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92QtNDR3P3y
Name DIETHYL-2,2'-[4,4'-(BUTANE-1,4-DIYL)-BIS-(3-METHYL-5-OXO-4,5-DIHYDRO-1,2,4-TRIAZOLE-4,1-DIYL)]-DIACETATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N6O6
InChI InChI=1S/C18H28N6O6/c1-5-29-15(25)11-23-17(27)21(13(3)19-23)9-7-8-10-22-14(4)20-24(18(22)28)12-16(26)30-6-2/h5-12H2,1-4H3
InChIKey IZHGSGXAHXXUQU-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 424.457 g/mol
Solvent DMSO-D6
Source File Reference UWBT14594