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1-N,16-N-bis(6-methylpyridin-2-yl)heptahelicene-1,16-dicarboxamide

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1-N,16-N-bis(6-methylpyridin-2-yl)heptahelicene-1,16-dicarboxamide
SpectraBase Compound ID CuzhBqF1vUX
InChI InChI=1S/C44H30N4O2/c1-25-5-3-7-37(45-25)47-43(49)33-21-11-27-9-13-29-15-17-31-19-20-32-18-16-30-14-10-28-12-22-34(44(50)48-38-8-4-6-26(2)46-38)24-36(28)40(30)42(32)41(31)39(29)35(27)23-33/h3-24H,1-2H3,(H,45,47,49)(H,46,48,50)
InChIKey DCDCWQLSFYMLIL-UHFFFAOYSA-N
Mol Weight 646.8 g/mol
Molecular Formula C44H30N4O2
Exact Mass 646.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5T60L1RPIMl
Name 1-N,16-N-bis(6-Methylpyridin-2-yl)heptahelicene-1,16-dicarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.236876220 u
Formula C44H30N4O2
InChI InChI=1S/C44H30N4O2/c1-25-5-3-7-37(45-25)47-43(49)33-21-11-27-9-13-29-15-17-31-19-20-32-18-16-30-14-10-28-12-22-34(44(50)48-38-8-4-6-26(2)46-38)24-36(28)40(30)42(32)41(31)39(29)35(27)23-33/h3-24H,1-2H3,(H,45,47,49)(H,46,48,50)
InChIKey DCDCWQLSFYMLIL-UHFFFAOYSA-N
Molecular Weight 646.750 g/mol
SMILES C1=2C=3C=4C=5C=C(C(NC6=NC(C)=CC=C6)=O)C=CC5C=CC4C=CC3C=CC2C=CC2=C1C=1C=C(C(NC=3N=C(C)C=CC3)=O)C=CC1C=C2