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IZQRABFRRUXLAD-UHFFFAOYSA-L

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IZQRABFRRUXLAD-UHFFFAOYSA-L
SpectraBase Compound ID 1CPDtzCcjSh
InChI InChI=1S/C39H43ClN4.2BrH/c1-41(37-18-16-36(40)17-19-37)38-20-26-42(27-21-38)30-34-12-8-32(9-13-34)6-2-3-7-33-10-14-35(15-11-33)31-43-28-22-39(23-29-43)44-24-4-5-25-44;;/h8-23,26-29H,2-7,24-25,30-31H2,1H3;2*1H/q+2;;/p-2
InChIKey IZQRABFRRUXLAD-UHFFFAOYSA-L
Mol Weight 763.062 g/mol
Molecular Formula C39H43Br2ClN4
Exact Mass 760.154301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eZXTk18TNu
Name IZQRABFRRUXLAD-UHFFFAOYSA-L
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H43Br2ClN4
InChI InChI=1S/C39H43ClN4.2BrH/c1-41(37-18-16-36(40)17-19-37)38-20-26-42(27-21-38)30-34-12-8-32(9-13-34)6-2-3-7-33-10-14-35(15-11-33)31-43-28-22-39(23-29-43)44-24-4-5-25-44;;/h8-23,26-29H,2-7,24-25,30-31H2,1H3;2*1H/q+2;;/p-2
InChIKey IZQRABFRRUXLAD-UHFFFAOYSA-L
Literature Reference Author B.RUBIO-RUIZ,A.ESPINOSA,A.E.GUADIX,A.CONEJO-GARCIA
Literature Reference Citation MAGN.RES.CHEM.,52,470(2014)
Literature Reference DOI 10.1002/mrc.4093
Molecular Weight 763.058 g/mol
Solvent CD3OD
Source File Reference UWBT15747