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3,21-DIISOPROPYL-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]-TRIACONTINE
SpectraBase Compound ID 8MYFrdnN3xO
InChI InChI=1S/C42H68N4/c1-35(2)37-23-27-39-40(28-24-37)44-32-20-16-12-8-6-10-14-18-22-34-46-42-30-26-38(36(3)4)25-29-41(42)45-33-21-17-13-9-5-7-11-15-19-31-43-39/h23-30,35-36,43,46H,5-22,31-34H2,1-4H3/b44-40-,45-41-
InChIKey QWTKZQYLVCYOIC-ACYPRQGXSA-N
Mol Weight 629.0 g/mol
Molecular Formula C42H68N4
Exact Mass 628.544398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oSftoFnU3F
Name 3,21-Diisopropyl-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]tetrazacyclotricontine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H68N4
InChI InChI=1S/C42H68N4/c1-35(2)37-23-27-39-40(28-24-37)44-32-20-16-12-8-6-10-14-18-22-34-46-42-30-26-38(36(3)4)25-29-41(42)45-33-21-17-13-9-5-7-11-15-19-31-43-39/h23-30,35-36,43,46H,5-22,31-34H2,1-4H3/b44-40-,45-41-
InChIKey QWTKZQYLVCYOIC-ACYPRQGXSA-N
Molecular Weight 629.034 g/mol
SMILES N1C=2\C(=N/CCCCCCCCCCCNC=3\C(C=CC(=CC3)C(C)C)=N/CCCCCCCCCCC1)C=CC(=CC2)C(C)C
SPLASH splash10-0fbi-0000095000-5f3845d6328e15395964
Source of Spectrum H1-40-921-4
Synonyms 3,21-diisopropyl-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 756984