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HRDKBJVPGWHPRI-VXBCHASASA-N

View entire compound with spectra: 1 NMR

HRDKBJVPGWHPRI-VXBCHASASA-N
SpectraBase Compound ID tYv7hIN3vf
InChI InChI=1S/C46H31N3/c1-5-13-31(14-6-1)43-35-21-23-36(24-22-35)44(32-15-7-2-8-16-32)38-26-28-40(48-38)46(34-19-11-4-12-20-34)42-30-29-41(49-42)45(33-17-9-3-10-18-33)39-27-25-37(43)47-39/h1-30,49H/b43-35-,43-37-,44-36-,44-38-,45-39-,45-41-,46-40-,46-42-
InChIKey HRDKBJVPGWHPRI-VXBCHASASA-N
Mol Weight 625.8 g/mol
Molecular Formula C46H31N3
Exact Mass 625.251798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KD9OEUyDIdL
Name HRDKBJVPGWHPRI-VXBCHASASA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H31N3
InChI InChI=1S/C46H31N3/c1-5-13-31(14-6-1)43-35-21-23-36(24-22-35)44(32-15-7-2-8-16-32)38-26-28-40(48-38)46(34-19-11-4-12-20-34)42-30-29-41(49-42)45(33-17-9-3-10-18-33)39-27-25-37(43)47-39/h1-30,49H/b43-35-,43-37-,44-36-,44-38-,45-39-,45-41-,46-40-,46-42-
InChIKey HRDKBJVPGWHPRI-VXBCHASASA-N
Literature Reference Author M.STEPIEN,L.LATOS-GRAZYNSKI
Literature Reference Citation J.AM.CHEM.SOC.,124,3838(2002)
Literature Reference DOI 10.1021/ja017852z
Molecular Weight 625.772 g/mol
Sample ID 33816
Solvent CDCl3