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3,9-BIS-(BrOMOMETHYL)-3,9-DI-PARA-NITROPHENYL-2,4,8,10-TETRAOXASPIRO-[5.5]-UNDECANE
SpectraBase Compound ID GpYiEaVEfRk
InChI InChI=1S/C21H20Br2N2O8/c22-9-20(15-1-5-17(6-2-15)24(26)27)30-11-19(12-31-20)13-32-21(10-23,33-14-19)16-3-7-18(8-4-16)25(28)29/h1-8H,9-14H2/t19-,20-,21-/m0/s1
InChIKey VDVAQONZAVDZQI-ACRUOGEOSA-N
Mol Weight 588.21 g/mol
Molecular Formula C21H20Br2N2O8
Exact Mass 585.958642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhXzjTzyHXg
Name 3,9-BIS-(BrOMOMETHYL)-3,9-DI-PARA-NITROPHENYL-2,4,8,10-TETRAOXASPIRO-[5.5]-UNDECANE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20Br2N2O8
InChI InChI=1S/C21H20Br2N2O8/c22-9-20(15-1-5-17(6-2-15)24(26)27)30-11-19(12-31-20)13-32-21(10-23,33-14-19)16-3-7-18(8-4-16)25(28)29/h1-8H,9-14H2/t19-,20-,21-/m0/s1
InChIKey VDVAQONZAVDZQI-ACRUOGEOSA-N
Literature Reference Author I.GROSU,S.MAGER,G.PLE,R.MARTINEZ,M.HORN,R.R.GAVINO
Literature Reference Citation MH.CHEM.,126,1021(1995)
Literature Reference DOI 10.1007/BF00811022
Molecular Weight 588.206 g/mol
Solvent CDCl3
Source File Reference UWRJ45