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meso-Bis(2,3-dimethyl-9-triptycyl)-methane

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meso-Bis(2,3-dimethyl-9-triptycyl)-methane
SpectraBase Compound ID CipATuO8JM
InChI InChI=1S/C45H36/c1-26-21-34-40(23-28(26)3)44(36-17-9-5-13-30(36)42(34)31-14-6-10-18-37(31)44)25-45-38-19-11-7-15-32(38)43(33-16-8-12-20-39(33)45)35-22-27(2)29(4)24-41(35)45/h5-24,42-43H,25H2,1-4H3/t42-,43-,44-,45-
InChIKey MLJCDTQRVNYOJZ-GXPIXITQSA-N
Mol Weight 576.8 g/mol
Molecular Formula C45H36
Exact Mass 576.281701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bpnnuc9d6Sp
Name meso-Bis(2,3-dimethyl-9-triptycyl)-methane
CAS Registry Number 76913-31-0
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H36
InChI InChI=1S/C45H36/c1-26-21-34-40(23-28(26)3)44(36-17-9-5-13-30(36)42(34)31-14-6-10-18-37(31)44)25-45-38-19-11-7-15-32(38)43(33-16-8-12-20-39(33)45)35-22-27(2)29(4)24-41(35)45/h5-24,42-43H,25H2,1-4H3/t42-,43-,44-,45-
InChIKey MLJCDTQRVNYOJZ-GXPIXITQSA-N
Literature Reference F. Cozzi, A. Guenzi, C.A. Johnson, J. Am. Chem. Soc. 103, 957 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3