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6,13,14,21-Tetraaza[6.2.6.1.]-(1,3)(1,3)(1,4)(1,4)-cyclophan-13-ene
SpectraBase Compound ID IqhZwB1zWn3
InChI InChI=1S/C35H40N4/c1-3-9-28-15-17-30(18-16-28)26-31-12-7-11-29(25-31)10-4-2-6-24-37-34-13-8-14-35(27-34)39-38-33-21-19-32(20-22-33)36-23-5-1/h7-8,11-22,25,27,36-37H,1-6,9-10,23-24,26H2/b39-38+
InChIKey QJNUBTHDXLXENK-YMZYAJTMSA-N
Mol Weight 516.7 g/mol
Molecular Formula C35H40N4
Exact Mass 516.325297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dhsa1e6MLMO
Name 6,13,14,21-Tetraaza[6.2.6.1.]-(1,3)(1,3)(1,4)(1,4)-cyclophan-13-ene
CAS Registry Number 140661-58-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40N4
InChI InChI=1S/C35H40N4/c1-3-9-28-15-17-30(18-16-28)26-31-12-7-11-29(25-31)10-4-2-6-24-37-34-13-8-14-35(27-34)39-38-33-21-19-32(20-22-33)36-23-5-1/h7-8,11-22,25,27,36-37H,1-6,9-10,23-24,26H2/b39-38+
InChIKey QJNUBTHDXLXENK-YMZYAJTMSA-N
Molecular Weight 516.733 g/mol
SMILES N1CCCCCc2ccc(Cc3cc(CCCCCNc4cc(\N=N\c5ccc1cc5)ccc4)ccc3)cc2
SPLASH splash10-014i-0100090000-a2313eb5f82effbddd14
Source of Spectrum K-125-1682-9
Synonyms 13,19,20,25-tetraazapentacyclo[29.2.2.2(21,24).1(3,7).1(14,18)]nonatriaconta-1(33),3(39),4,6,14(38),15,17,19,21,23,31,34,36-tridecaene
Wiley ID 1401503