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1,23:4,6:7,9:12,14:15,17:20,22-Hexaethenotribenzo[A,G,m]cyclooctadecene

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1,23:4,6:7,9:12,14:15,17:20,22-Hexaethenotribenzo[A,G,m]cyclooctadecene
SpectraBase Compound ID GTCyWOQJOtU
InChI InChI=1S/C42H24/c1-2-26-8-14-32-20-38(26)37-19-31(13-7-25(1)37)33-15-9-27-3-4-29-11-17-35(23-41(29)39(27)21-33)36-18-12-30-6-5-28-10-16-34(32)22-40(28)42(30)24-36/h1-24H/b33-31-,34-32-,36-35-
InChIKey RIIQONSNWDINRT-GZECARTOSA-N
Mol Weight 528.7 g/mol
Molecular Formula C42H24
Exact Mass 528.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxnTaFxSxKB
Name 1,23:4,6:7,9:12,14:15,17:20,22-Hexaethenotribenzo[A,G,m]cyclooctadecene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.187800773 u
Formula C42H24
InChI InChI=1S/C42H24/c1-2-26-8-14-32-20-38(26)37-19-31(13-7-25(1)37)33-15-9-27-3-4-29-11-17-35(23-41(29)39(27)21-33)36-18-12-30-6-5-28-10-16-34(32)22-40(28)42(30)24-36/h1-24H/b33-31-,34-32-,36-35-
InChIKey RIIQONSNWDINRT-GZECARTOSA-N
Molecular Weight 528.654 g/mol
SMILES C12=C3C=CC4=C2C=C(C=C4)C=2C=CC4=C(C5=C(C=C4)C=CC(=C5)C4=CC5=C(C=C4)C=CC4=C5C=C(C=C4)C(=C1)C=C3)C2