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N(1),N(3)-bis{[6'-(9"-Anthracenyl)methyl](ethyl)aminomethyl]-2'-pyridyl}-isophthalamide
SpectraBase Compound ID EZjvcotLM3Z
InChI InChI=1S/C54H48N6O2/c1-3-59(35-49-45-24-9-5-16-37(45)30-38-17-6-10-25-46(38)49)33-43-22-14-28-51(55-43)57-53(61)41-20-13-21-42(32-41)54(62)58-52-29-15-23-44(56-52)34-60(4-2)36-50-47-26-11-7-18-39(47)31-40-19-8-12-27-48(40)50/h5-32H,3-4,33-36H2,1-2H3,(H,55,57,61)(H,56,58,62)
InChIKey RUNDDVJLQQCGLD-UHFFFAOYSA-N
Mol Weight 813.0 g/mol
Molecular Formula C54H48N6O2
Exact Mass 812.383875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5D2LFdQily8
Name N(1),N(3)-bis{[6'-(9"-Anthracenyl)methyl](ethyl)aminomethyl]-2'-pyridyl}-isophthalamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H48N6O2
InChI InChI=1S/C54H48N6O2/c1-3-59(35-49-45-24-9-5-16-37(45)30-38-17-6-10-25-46(38)49)33-43-22-14-28-51(55-43)57-53(61)41-20-13-21-42(32-41)54(62)58-52-29-15-23-44(56-52)34-60(4-2)36-50-47-26-11-7-18-39(47)31-40-19-8-12-27-48(40)50/h5-32H,3-4,33-36H2,1-2H3,(H,55,57,61)(H,56,58,62)
InChIKey RUNDDVJLQQCGLD-UHFFFAOYSA-N
Molecular Weight 813.018 g/mol
SMILES N(C(c1cc(C(Nc2nc(CN(Cc3c4c(cc5c3cccc5)cccc4)CC)ccc2)=O)ccc1)=O)c1nc(CN(Cc2c3c(cccc3)cc3c2cccc3)CC)ccc1
SPLASH splash10-03di-0000001090-711ebb9e6ffe067684af
Source of Spectrum C3-33-1971-1
Wiley ID 1696319