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Cycloocta[1,2-c:5,6-c']dipyrrole, 2,4,5,7,9,10-hexahydro-2,7-dimethyl-4,5,9,10-tetraphenyl-
SpectraBase Compound ID 5yyi3zRcx41
InChI InChI=1S/C38H34N2/c1-39-23-31-32(24-39)36(28-17-9-4-10-18-28)38(30-21-13-6-14-22-30)34-26-40(2)25-33(34)37(29-19-11-5-12-20-29)35(31)27-15-7-3-8-16-27/h3-26,35-38H,1-2H3
InChIKey NJVSUDFTWDRDLN-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C38H34N2
Exact Mass 518.272199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbC5TkVaril
Name Cycloocta[1,2-c:5,6-c']dipyrrole, 2,4,5,7,9,10-hexahydro-2,7-dimethyl-4,5,9,10-tetraphenyl-
Alternate Name(s) 2,7-dimethyl-4,5,9,10-tetraphenyl-2,4,5,7,9,10-hexahydropyrrolo[3',4':5,6]cycloocta[1,2-c]pyrrole Dimer of 2,7-diphenyl-4-methyl-4-azahepta-1,6-diyne
CAS Registry Number 56146-98-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34N2
InChI InChI=1S/C38H34N2/c1-39-23-31-32(24-39)36(28-17-9-4-10-18-28)38(30-21-13-6-14-22-30)34-26-40(2)25-33(34)37(29-19-11-5-12-20-29)35(31)27-15-7-3-8-16-27/h3-26,35-38H,1-2H3
InChIKey NJVSUDFTWDRDLN-UHFFFAOYSA-N
Molecular Weight 518.704 g/mol
SMILES c12c(C(C(c3ccccc3)c3c(C(C1c1ccccc1)c1ccccc1)c[n](C)c3)c1ccccc1)c[n](c2)C
SPLASH splash10-066r-0060090000-64ef3620e53c5a220760
Source of Spectrum J-44-2674-0
Wiley ID 1401804