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7,14,15,22-Tetraaza[7.2.7.1.]-(1,3)(1,3)(1,4)(1,4)-cyclophan-14-ene
SpectraBase Compound ID Up3CIlkagQ
InChI InChI=1S/C37H44N4/c1-3-7-25-38-34-21-23-35(24-22-34)40-41-37-16-10-15-36(29-37)39-26-8-4-2-6-12-31-13-9-14-33(27-31)28-32-19-17-30(11-5-1)18-20-32/h9-10,13-24,27,29,38-39H,1-8,11-12,25-26,28H2/b41-40-
InChIKey WRCNSHYBNIFSFZ-NSJNLYRLSA-N
Mol Weight 544.8 g/mol
Molecular Formula C37H44N4
Exact Mass 544.356597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EXZNhDA8hM
Name 7,14,15,22-Tetraaza[7.2.7.1.]-(1,3)(1,3)(1,4)(1,4)-cyclophan-14-ene
CAS Registry Number 140661-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H44N4
InChI InChI=1S/C37H44N4/c1-3-7-25-38-34-21-23-35(24-22-34)40-41-37-16-10-15-36(29-37)39-26-8-4-2-6-12-31-13-9-14-33(27-31)28-32-19-17-30(11-5-1)18-20-32/h9-10,13-24,27,29,38-39H,1-8,11-12,25-26,28H2/b41-40-
InChIKey WRCNSHYBNIFSFZ-NSJNLYRLSA-N
Molecular Weight 544.787 g/mol
SMILES N1CCCCCCc2ccc(Cc3cc(CCCCCCNc4cc(\N=N/c5ccc1cc5)ccc4)ccc3)cc2
SPLASH splash10-0006-0010090000-776895a302765353ae7a
Source of Spectrum K-125-1682-9
Synonyms 14,20,21,26-tetraazapentacyclo[31.2.2.2(22,25).1(3,7).1(15,19)]hentetraconta-1(35),3(41),4,6,15(40),16,18,20,22,24,33,36,38-tridecaene
Wiley ID 1405124