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1,3-DIBROMO-2,4,5,6-TETRAKIS-[PARA-(ETHOXYCARBONYL)-PHENYLETHYNYL]-BENZENE

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1,3-DIBROMO-2,4,5,6-TETRAKIS-[PARA-(ETHOXYCARBONYL)-PHENYLETHYNYL]-BENZENE
SpectraBase Compound ID IeK2PAEG0dI
InChI InChI=1S/C50H36Br2O8/c1-5-57-47(53)37-21-9-33(10-22-37)17-29-41-42(30-18-34-11-23-38(24-12-34)48(54)58-6-2)45(51)44(32-20-36-15-27-40(28-16-36)50(56)60-8-4)46(52)43(41)31-19-35-13-25-39(26-14-35)49(55)59-7-3/h9-16,21-28H,5-8H2,1-4H3
InChIKey UMBGEOBJLYKDRB-UHFFFAOYSA-N
Mol Weight 924.6 g/mol
Molecular Formula C50H36Br2O8
Exact Mass 922.077694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DGylncJxVQ
Name 1,3-DIBROMO-2,4,5,6-TETRAKIS-[PARA-(ETHOXYCARBONYL)-PHENYLETHYNYL]-BENZENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H36Br2O8
InChI InChI=1S/C50H36Br2O8/c1-5-57-47(53)37-21-9-33(10-22-37)17-29-41-42(30-18-34-11-23-38(24-12-34)48(54)58-6-2)45(51)44(32-20-36-15-27-40(28-16-36)50(56)60-8-4)46(52)43(41)31-19-35-13-25-39(26-14-35)49(55)59-7-3/h9-16,21-28H,5-8H2,1-4H3
InChIKey UMBGEOBJLYKDRB-UHFFFAOYSA-N
Literature Reference Author K.KOBAYASHI,N.KOBAYASHI
Literature Reference Citation J.ORG.CHEM.,69,2487(2004)
Literature Reference DOI 10.1021/jo049948s
Molecular Weight 924.639 g/mol
Solvent CDCl3
Source File Reference UWVN21253