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4,4'-Biphenylenebis[5-phenyl-2'-(2,5':2',5"-terpyrimidine)]
SpectraBase Compound ID WKftFtSObD
InChI InChI=1S/C48H30N12/c1-3-7-31(8-4-1)37-19-49-45(50-20-37)41-27-57-47(58-28-41)39-23-53-43(54-24-39)35-15-11-33(12-16-35)34-13-17-36(18-14-34)44-55-25-40(26-56-44)48-59-29-42(30-60-48)46-51-21-38(22-52-46)32-9-5-2-6-10-32/h1-30H
InChIKey XWGOOPNPWYTINU-UHFFFAOYSA-N
Mol Weight 774.9 g/mol
Molecular Formula C48H30N12
Exact Mass 774.271639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTdUAeI26Yp
Name 4,4'-Biphenylenebis[5-phenyl-2'-(2,5':2',5"-terpyrimidine)]
Alternate Name(s) 4,4'-Biphenylenebis[5-phenyl-2'-(2,5':2',5''-terpyrimidine)]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H30N12
InChI InChI=1S/C48H30N12/c1-3-7-31(8-4-1)37-19-49-45(50-20-37)41-27-57-47(58-28-41)39-23-53-43(54-24-39)35-15-11-33(12-16-35)34-13-17-36(18-14-34)44-55-25-40(26-56-44)48-59-29-42(30-60-48)46-51-21-38(22-52-46)32-9-5-2-6-10-32/h1-30H
InChIKey XWGOOPNPWYTINU-UHFFFAOYSA-N
Molecular Weight 774.852 g/mol
SMILES c1(-c2cnc(nc2)-c2cnc(nc2)-c2ccc(-c3ccc(-c4ncc(-c5ncc(-c6ncc(cn6)-c6ccccc6)cn5)cn4)cc3)cc2)ncc(cn1)-c1ccccc1
SPLASH splash10-00fr-0000001900-584c52480628ba5c67c0
Source of Spectrum SO-0-712-39
Wiley ID 874546