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Hexadecaazanonacyclo[25.5.3.2(6,9).2(14,17).2(22,25).1(3,7).1(11,15).1(19,23).0(30,34)]tetratetracontane
SpectraBase Compound ID GLqcXuidWbL
InChI InChI=1S/C28H56N16/c1-9-37-10-2-31-18-32-5-13-39-15-7-35(27-43(39)25-32)20-36-8-16-40-14-6-34(26-44(40)28-36)19-33-4-12-38-11-3-30(22-42(38)24-33)17-29(1)21-41(37)23-31/h1-28H2
InChIKey XUEDLHKFIRFKKU-UHFFFAOYSA-N
Mol Weight 616.9 g/mol
Molecular Formula C28H56N16
Exact Mass 616.487386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ga98ISUExSa
Name Hexadecaazanonacyclo[25.5.3.2(6,9).2(14,17).2(22,25).1(3,7).1(11,15).1(19,23).0(30,34)]tetratetracontane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H56N16
InChI InChI=1S/C28H56N16/c1-9-37-10-2-31-18-32-5-13-39-15-7-35(27-43(39)25-32)20-36-8-16-40-14-6-34(26-44(40)28-36)19-33-4-12-38-11-3-30(22-42(38)24-33)17-29(1)21-41(37)23-31/h1-28H2
InChIKey XUEDLHKFIRFKKU-UHFFFAOYSA-N
Molecular Weight 616.868 g/mol
SMILES C1N2N3CN(C1)CN1CN4CN(CN5CN6CN(CN7CN8CN(CN(C3)CC2)CCN8CC7)CCN6CC5)CCN4CC1
SPLASH splash10-0r93-9200000000-f6a4da1bdd002d56411b
Source of Spectrum QE-5-3056-6
Wiley ID 844346