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

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1,3,5-TRIBROMO-2,4,6-TRIS-[PARA-(ETHOXYCARBONYL)-PHENYLETHYNYL]-BENZENE
SpectraBase Compound ID AgWHwND5X9J
InChI InChI=1S/C39H27Br3O6/c1-4-46-37(43)28-16-7-25(8-17-28)13-22-31-34(40)32(23-14-26-9-18-29(19-10-26)38(44)47-5-2)36(42)33(35(31)41)24-15-27-11-20-30(21-12-27)39(45)48-6-3/h7-12,16-21H,4-6H2,1-3H3
InChIKey VWYGFQGGOFCPKP-UHFFFAOYSA-N
Mol Weight 831.4 g/mol
Molecular Formula C39H27Br3O6
Exact Mass 827.935778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D76izEYPq3S
Name 1,3,5-TRIBROMO-2,4,6-TRIS-[PARA-(ETHOXYCARBONYL)-PHENYLETHYNYL]-BENZENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H27Br3O6
InChI InChI=1S/C39H27Br3O6/c1-4-46-37(43)28-16-7-25(8-17-28)13-22-31-34(40)32(23-14-26-9-18-29(19-10-26)38(44)47-5-2)36(42)33(35(31)41)24-15-27-11-20-30(21-12-27)39(45)48-6-3/h7-12,16-21H,4-6H2,1-3H3
InChIKey VWYGFQGGOFCPKP-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 831.352 g/mol
Solvent CDCl3
Source File Reference UWVN21252