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2,2,6,6-TETRAKIS-[2-(5-TETRAZOLYL)-ETHYL]-CYCLOHEXANONE
SpectraBase Compound ID Cg8P2ppGYtY
InChI InChI=1S/C18H26N16O/c35-16-17(8-2-12-19-27-28-20-12,9-3-13-21-29-30-22-13)6-1-7-18(16,10-4-14-23-31-32-24-14)11-5-15-25-33-34-26-15/h1-11H2,(H,19,20,27,28)(H,21,22,29,30)(H,23,24,31,32)(H,25,26,33,34)
InChIKey QGLCXTWSXJVDBR-UHFFFAOYSA-N
Mol Weight 482.52 g/mol
Molecular Formula C18H26N16O
Exact Mass 482.24755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xGEt9Oy490
Name 2,2,6,6-TETRAKIS-[2-(5-TETRAZOLYL)-ETHYL]-CYCLOHEXANONE
Compound Number II-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N16O
InChI InChI=1S/C18H26N16O/c35-16-17(8-2-12-19-27-28-20-12,9-3-13-21-29-30-22-13)6-1-7-18(16,10-4-14-23-31-32-24-14)11-5-15-25-33-34-26-15/h1-11H2,(H,19,20,27,28)(H,21,22,29,30)(H,23,24,31,32)(H,25,26,33,34)
InChIKey QGLCXTWSXJVDBR-UHFFFAOYSA-N
Literature Reference Author V.Y.ZUBAREV,G.V.GURSKAYA,V.E.ZAVODNIK,V.A.OSTROVSKII
Literature Reference Citation CHEM.HET.COMP.,33,1292(1997)
Literature Reference DOI 10.1007/bf02320330
Molecular Weight 482.511 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14447