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3,3'-(ISOPHTHALDIAMIDO)-BIS-[6-(3,5-DIMETHYLPYRAZOL-1-YL)-1,2,4,5-TETRAZINE]
SpectraBase Compound ID 32KnrCp6us9
InChI InChI=1S/C22H22N14O2/c1-11-8-13(3)35(33-11)21-29-25-19(26-30-21)23-17(37)15-6-5-7-16(10-15)18(38)24-20-27-31-22(32-28-20)36-14(4)9-12(2)34-36/h5-10H,1-4H3,(H,29,30)(H2,23,25,26,37)(H,24,27,28,38)
InChIKey JXRHCXXCMICGDW-UHFFFAOYSA-N
Mol Weight 514.51 g/mol
Molecular Formula C22H22N14O2
Exact Mass 514.205016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNsAASQfcb1
Name 3,3'-(ISOPHTHALDIAMIDO)-BIS-[6-(3,5-DIMETHYLPYRAZOL-1-YL)-1,2,4,5-TETRAZINE]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N14O2
InChI InChI=1S/C22H22N14O2/c1-11-8-13(3)35(33-11)21-29-25-19(26-30-21)23-17(37)15-6-5-7-16(10-15)18(38)24-20-27-31-22(32-28-20)36-14(4)9-12(2)34-36/h5-10H,1-4H3,(H,29,30)(H2,23,25,26,37)(H,24,27,28,38)
InChIKey JXRHCXXCMICGDW-UHFFFAOYSA-N
Literature Reference Author C.GLIDEWELL,P.LIGHTFOOT,B.J.L.ROYLES,D.M.SMITH
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1167(1997)
Literature Reference DOI 10.1039/a607646g
Molecular Weight 514.509 g/mol
Solvent CDCl3
Source File Reference UWRU6206