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N,N',N",N"'-Tetramethyl-2,11,20,29-tetraza[3.3,3,3]metacyclophane
SpectraBase Compound ID GYBgSiTuNSc
InChI InChI=1S/C36H44N4/c1-37-21-29-9-5-11-31(17-29)23-38(2)25-33-13-7-15-35(19-33)27-40(4)28-36-16-8-14-34(20-36)26-39(3)24-32-12-6-10-30(18-32)22-37/h5-20H,21-28H2,1-4H3
InChIKey BBXCYZNAOJHHNE-UHFFFAOYSA-N
Mol Weight 532.8 g/mol
Molecular Formula C36H44N4
Exact Mass 532.356597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JhWtkAOS8a
Name N,N',N",N"'-Tetramethyl-2,11,20,29-tetraza[3.3,3,3]metacyclophane
Comments Less than 3 mono-isotopic peaks
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Formula C36H44N4
InChI InChI=1S/C36H44N4/c1-37-21-29-9-5-11-31(17-29)23-38(2)25-33-13-7-15-35(19-33)27-40(4)28-36-16-8-14-34(20-36)26-39(3)24-32-12-6-10-30(18-32)22-37/h5-20H,21-28H2,1-4H3
InChIKey BBXCYZNAOJHHNE-UHFFFAOYSA-N
Molecular Weight 532.776 g/mol
SMILES C1N(Cc2cc(CN(Cc3cc(CN(Cc4cc(CN(Cc5cc1ccc5)C)ccc4)C)ccc3)C)ccc2)C
SPLASH splash10-001i-0000090000-6aa865015fa7daf94707
Source of Spectrum SO-0-1259-2
Wiley ID 1544590