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CITKYMHDPKKUDP-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

CITKYMHDPKKUDP-UHFFFAOYSA-N
SpectraBase Compound ID 30c65ALlPpX
InChI InChI=1S/C42H32N6/c1-4-14-33-28(11-1)21-24-31-27-32(25-26-34(31)41(33)47-43-37-17-7-8-18-38(37)44-47)42(48-45-39-19-9-10-20-40(39)46-48)35-15-5-2-12-29(35)22-23-30-13-3-6-16-36(30)42/h1-20,25-27,41H,21-24H2
InChIKey CITKYMHDPKKUDP-UHFFFAOYSA-N
Mol Weight 620.8 g/mol
Molecular Formula C42H32N6
Exact Mass 620.268845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2i0zfvewGvW
Name CITKYMHDPKKUDP-UHFFFAOYSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H32N6
InChI InChI=1S/C42H32N6/c1-4-14-33-28(11-1)21-24-31-27-32(25-26-34(31)41(33)47-43-37-17-7-8-18-38(37)44-47)42(48-45-39-19-9-10-20-40(39)46-48)35-15-5-2-12-29(35)22-23-30-13-3-6-16-36(30)42/h1-20,25-27,41H,21-24H2
InChIKey CITKYMHDPKKUDP-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,B.YANG,D.P.M.PLEYNET
Literature Reference Citation J.ORG.CHEM.,63,9992(1998)
Literature Reference DOI 10.1021/jo980618f
Molecular Weight 620.756 g/mol
Sample ID 26926
Solvent Unknown