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BIS-{[1-(TETRAZOL-5-YLMETHYL)-1,2,3-TRIAZOL-4-YL]-METHYL}-TEREPHTHALATE
SpectraBase Compound ID IpKbvOjZCbH
InChI InChI=1S/C18H16N14O4/c33-17(35-9-13-5-31(29-19-13)7-15-21-25-26-22-15)11-1-2-12(4-3-11)18(34)36-10-14-6-32(30-20-14)8-16-23-27-28-24-16/h1-6H,7-10H2,(H,21,22,25,26)(H,23,24,27,28)
InChIKey SJCJWCVWPZXFQF-UHFFFAOYSA-N
Mol Weight 492.42 g/mol
Molecular Formula C18H16N14O4
Exact Mass 492.147895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32aZUcYgVtw
Name BIS-{[1-(TETRAZOL-5-YLMETHYL)-1,2,3-TRIAZOL-4-YL]-METHYL}-TEREPHTHALATE
Compound Number X-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16N14O4
InChI InChI=1S/C18H16N14O4/c33-17(35-9-13-5-31(29-19-13)7-15-21-25-26-22-15)11-1-2-12(4-3-11)18(34)36-10-14-6-32(30-20-14)8-16-23-27-28-24-16/h1-6H,7-10H2,(H,21,22,25,26)(H,23,24,27,28)
InChIKey SJCJWCVWPZXFQF-UHFFFAOYSA-N
Literature Reference Author L.I.VERESHCHAGIN,V.N.KIZHNYAEV,O.N.VERKHOZINA,A.G.PROIDAKOV, A.I.SMIRNOV
Literature Reference Citation RUSS.J.ORG.CHEM.,40,1156(2004)
Literature Reference DOI 10.1023/B:RUJO.0000045898.10072.7f
Molecular Weight 492.416 g/mol
Solvent ACETONE-D6_OR_DMSO-D6
Source File Reference UWMZ16513