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OKKCVIOUMVOZJE-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

OKKCVIOUMVOZJE-UHFFFAOYSA-L
SpectraBase Compound ID 74Wb7WEEUmI
InChI InChI=1S/C29H31ClN4.2BrH/c1-31(27-10-8-26(30)9-11-27)28-12-18-32(19-13-28)22-24-4-6-25(7-5-24)23-33-20-14-29(15-21-33)34-16-2-3-17-34;;/h4-15,18-21H,2-3,16-17,22-23H2,1H3;2*1H/q+2;;/p-2
InChIKey OKKCVIOUMVOZJE-UHFFFAOYSA-L
Mol Weight 630.856 g/mol
Molecular Formula C29H31Br2ClN4
Exact Mass 628.060401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jZDqjuWaJ3
Name OKKCVIOUMVOZJE-UHFFFAOYSA-L
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31Br2ClN4
InChI InChI=1S/C29H31ClN4.2BrH/c1-31(27-10-8-26(30)9-11-27)28-12-18-32(19-13-28)22-24-4-6-25(7-5-24)23-33-20-14-29(15-21-33)34-16-2-3-17-34;;/h4-15,18-21H,2-3,16-17,22-23H2,1H3;2*1H/q+2;;/p-2
InChIKey OKKCVIOUMVOZJE-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 630.853 g/mol
Solvent CD3OD
Source File Reference UWBT15744