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6,7,8,9,10,11,12,13,14,15,16,17,24,25,28,27,28,29,30,31,32,33,34,35-Tetracosahydrodicyclohepta[b,q][1,4,16,19]tetrazacyclotriacontine
SpectraBase Compound ID EN26lhW2mf
InChI InChI=1S/C36H56N4/c1-3-7-11-21-29-37-33-25-17-15-19-27-35(33)39-31-23-13-9-5-2-6-10-14-24-32-40-36-28-20-16-18-26-34(36)38-30-22-12-8-4-1/h15-20,25-28,37,40H,1-14,21-24,29-32H2/b38-34-,39-35-
InChIKey XHCLYRTVBAXMDA-RJUWZALNSA-N
Mol Weight 544.9 g/mol
Molecular Formula C36H56N4
Exact Mass 544.450498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ls9egePDzr
Name 6,7,8,9,10,11,12,13,14,15,16,17,24,25,28,27,28,29,30,31,32,33,34,35-Tetracosahydrodicyclohepta[b,q][1,4,16,19]tetrazacyclotriacontine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56N4
InChI InChI=1S/C36H56N4/c1-3-7-11-21-29-37-33-25-17-15-19-27-35(33)39-31-23-13-9-5-2-6-10-14-24-32-40-36-28-20-16-18-26-34(36)38-30-22-12-8-4-1/h15-20,25-28,37,40H,1-14,21-24,29-32H2/b38-34-,39-35-
InChIKey XHCLYRTVBAXMDA-RJUWZALNSA-N
Molecular Weight 544.872 g/mol
SMILES N1C=2\C(=N/CCCCCCCCCCCNC=3\C(=N/CCCCCCCCCCC1)C=CC=CC3)C=CC=CC2
SPLASH splash10-0fr5-0504590000-cd859ded3b6510988694
Source of Spectrum AJ-66-2945-5
Synonyms 6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33,34,35-tetracosahydrodicyclohepta[b,q][1,4,16,19]tetraazacyclotriacontine
Wiley ID 772264