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N(4),N(4),N(13),N(13)-Tetrabenzyl-5,11-hexadecadiyne-4,13-diamine
SpectraBase Compound ID 7Yelg7QuZ5v
InChI InChI=1S/C44H52N2/c1-3-23-43(45(35-39-25-13-9-14-26-39)36-40-27-15-10-16-28-40)33-21-7-5-6-8-22-34-44(24-4-2)46(37-41-29-17-11-18-30-41)38-42-31-19-12-20-32-42/h9-20,25-32,43-44H,3-8,23-24,35-38H2,1-2H3
InChIKey ISXKKBUSYSNGRF-UHFFFAOYSA-N
Mol Weight 608.9 g/mol
Molecular Formula C44H52N2
Exact Mass 608.41305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EpXLtMjYJv
Name N(4),N(4),N(13),N(13)-Tetrabenzyl-5,11-hexadecadiyne-4,13-diamine
Alternate Name(s) N,N-dibenzyl-N-[10-(dibenzylamino)-1-propyl-2,8-tridecadiynyl]amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H52N2
InChI InChI=1S/C44H52N2/c1-3-23-43(45(35-39-25-13-9-14-26-39)36-40-27-15-10-16-28-40)33-21-7-5-6-8-22-34-44(24-4-2)46(37-41-29-17-11-18-30-41)38-42-31-19-12-20-32-42/h9-20,25-32,43-44H,3-8,23-24,35-38H2,1-2H3
InChIKey ISXKKBUSYSNGRF-UHFFFAOYSA-N
Molecular Weight 608.914 g/mol
SMILES C(N(Cc1ccccc1)C(C#CCCCCC#CC(N(Cc1ccccc1)Cc1ccccc1)CCC)CCC)c1ccccc1
SPLASH splash10-0006-9000030000-22388dce20a691099d03
Source of Spectrum QE-12-4391-15
Wiley ID 1587050