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[3]Paracyclo[3](1,3)indolo[3]paracyclo[3](1,3)indolophane
SpectraBase Compound ID EdLYmjdMVpl
InChI InChI=1S/C40H42N2/c1-3-17-39-37(15-1)35-13-5-9-31-19-23-34(24-20-31)12-8-28-42-30-36(38-16-2-4-18-40(38)42)14-6-10-32-21-25-33(26-22-32)11-7-27-41(39)29-35/h1-4,15-26,29-30H,5-14,27-28H2
InChIKey NCVZUKUMONEZGM-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C40H42N2
Exact Mass 550.334799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nCOEFBKoNG
Name [3]Paracyclo[3](1,3)indolo[3]paracyclo[3](1,3)indolophane
Alternate Name(s) 5,23-diazaheptacyclo[32.2.2.2(16,19).1(5,12).1(23,30).0(6,11).0(24,29)]dotetraconta-1(36),6,8,10,12(42),16,18,24,26,28,30(41),34,37,39-tetradecaene
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Formula C40H42N2
InChI InChI=1S/C40H42N2/c1-3-17-39-37(15-1)35-13-5-9-31-19-23-34(24-20-31)12-8-28-42-30-36(38-16-2-4-18-40(38)42)14-6-10-32-21-25-33(26-22-32)11-7-27-41(39)29-35/h1-4,15-26,29-30H,5-14,27-28H2
InChIKey NCVZUKUMONEZGM-UHFFFAOYSA-N
Molecular Weight 550.790 g/mol
SMILES c1[n]2CCCc3ccc(CCCc4c[n](CCCc5ccc(CCCc1c1c2cccc1)cc5)c1c4cccc1)cc3
SPLASH splash10-0f96-0940050000-990e3cb7afb19ebd8eba
Source of Spectrum F-55-12955-44
Wiley ID 839741