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4-[(2,5-DIBROMO-4-(2-ETHYLHEXYLOXY)]-PHENOXY-1,2-DICYANOBENZENE
SpectraBase Compound ID ERcfLT0ReZO
InChI InChI=1S/C22H22Br2N2O2/c1-3-5-6-15(4-2)14-27-21-10-20(24)22(11-19(21)23)28-18-8-7-16(12-25)17(9-18)13-26/h7-11,15H,3-6,14H2,1-2H3
InChIKey YODKYIWKCSZMBV-UHFFFAOYSA-N
Mol Weight 506.24 g/mol
Molecular Formula C22H22Br2N2O2
Exact Mass 504.004804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVgOo6NVDRY
Name 4-[(2,5-DIBROMO-4-(2-ETHYLHEXYLOXY)]-PHENOXY-1,2-DICYANOBENZENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Br2N2O2
InChI InChI=1S/C22H22Br2N2O2/c1-3-5-6-15(4-2)14-27-21-10-20(24)22(11-19(21)23)28-18-8-7-16(12-25)17(9-18)13-26/h7-11,15H,3-6,14H2,1-2H3
InChIKey YODKYIWKCSZMBV-UHFFFAOYSA-N
Literature Reference Author A.GOULOUMIS,A.D.L.ESCOSURA,P.VAZQUEZ,T.TORREA,A.KAHNT,D.M.GU LDI,H.NEUGEBAUER,C.W
Literature Reference Citation ORG.LETTERS,8,5187(2006)
Literature Reference DOI 10.1021/ol061723b
Molecular Weight 506.237 g/mol
Sample ID 53274
Solvent CDCl3