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[3]Paracyclo[3](1,3)indolo[3]paracyclo[3](1,3)indolophane

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ab4cKNDvhAo
Name [3]Paracyclo[3](1,3)indolo[3]paracyclo[3](1,3)indolophane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.334799360 u
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 C=1N2CCCC3=CC=C(CCCC4=CN(CCCC5=CC=C(CCCC1C1=C2C=CC=C1)C=C5)C=1C4=CC=CC1)C=C3