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ZGKYDUICSAENMM-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

ZGKYDUICSAENMM-UHFFFAOYSA-M
SpectraBase Compound ID IB4Bkm4QknZ
InChI InChI=1S/C20H22N7.BrH/c1-25(2)17-7-9-26(10-8-17)11-15-3-5-16(6-4-15)12-27-14-24-18-19(21)22-13-23-20(18)27;/h3-10,13-14H,11-12H2,1-2H3,(H2,21,22,23);1H/q+1;/p-1
InChIKey ZGKYDUICSAENMM-UHFFFAOYSA-M
Mol Weight 440.35 g/mol
Molecular Formula C20H22BrN7
Exact Mass 439.112007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9KmLiTBkI8
Name ZGKYDUICSAENMM-UHFFFAOYSA-M
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22BrN7
InChI InChI=1S/C20H22N7.BrH/c1-25(2)17-7-9-26(10-8-17)11-15-3-5-16(6-4-15)12-27-14-24-18-19(21)22-13-23-20(18)27;/h3-10,13-14H,11-12H2,1-2H3,(H2,21,22,23);1H/q+1;/p-1
InChIKey ZGKYDUICSAENMM-UHFFFAOYSA-M
Literature Reference Author B.RUBIO-RUIZ,A.CONEJO-GARCIA,M.A.GALLO,A.ESPINOSA,A.ENTRENA
Literature Reference Citation MAGN.RES.CHEM.,50,466(2012)
Literature Reference DOI 10.1002/mrc.3817
Molecular Weight 440.346 g/mol
Solvent CD3OD
Source File Reference UWBT16070