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1,3,5-tris-{3-[(benzylamino)methyl]phenyl}benzene
SpectraBase Compound ID 67a8ksqsDhF
InChI InChI=1S/C48H45N3/c1-4-13-37(14-5-1)31-49-34-40-19-10-22-43(25-40)46-28-47(44-23-11-20-41(26-44)35-50-32-38-15-6-2-7-16-38)30-48(29-46)45-24-12-21-42(27-45)36-51-33-39-17-8-3-9-18-39/h1-30,49-51H,31-36H2
InChIKey USTFHDANOUQXDX-UHFFFAOYSA-N
Mol Weight 663.9 g/mol
Molecular Formula C48H45N3
Exact Mass 663.361348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QoQXrfVjZK
Name 1,3,5-tris-{3-[(benzylamino)methyl]phenyl}benzene
CAS Registry Number 118723-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H45N3
InChI InChI=1S/C48H45N3/c1-4-13-37(14-5-1)31-49-34-40-19-10-22-43(25-40)46-28-47(44-23-11-20-41(26-44)35-50-32-38-15-6-2-7-16-38)30-48(29-46)45-24-12-21-42(27-45)36-51-33-39-17-8-3-9-18-39/h1-30,49-51H,31-36H2
InChIKey USTFHDANOUQXDX-UHFFFAOYSA-N
Molecular Weight 663.909 g/mol
SMILES N(Cc1cc(-c2cc(-c3cc(CNCc4ccccc4)ccc3)cc(c2)-c2cc(CNCc3ccccc3)ccc2)ccc1)Cc1ccccc1
SPLASH splash10-0006-9000011000-bd3165cf7e2b1d32445b
Source of Spectrum K-122-2393-11
Synonyms benzyl({3-[3,5-bis({3-[(benzylamino)methyl]phenyl})phenyl]phenyl}methyl)amine
Wiley ID 1413681