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meso-Bis(1,4-dimethyl-9-triptycyl)-methane

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meso-Bis(1,4-dimethyl-9-triptycyl)-methane
SpectraBase Compound ID 6KizXjxdMi6
InChI InChI=1S/C45H36/c1-26-21-23-28(3)42-38(26)40-30-13-5-9-17-34(30)44(42,35-18-10-6-14-31(35)40)25-45-36-19-11-7-15-32(36)41(33-16-8-12-20-37(33)45)39-27(2)22-24-29(4)43(39)45/h5-24,40-41H,25H2,1-4H3/t40-,41-,44-,45-
InChIKey XBHLMQULJICCLF-KOSACMAHSA-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 3KZsYhkit3b
Name meso-Bis(1,4-dimethyl-9-triptycyl)-methane
CAS Registry Number 84170-86-5
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C45H36
InChI InChI=1S/C45H36/c1-26-21-23-28(3)42-38(26)40-30-13-5-9-17-34(30)44(42,35-18-10-6-14-31(35)40)25-45-36-19-11-7-15-32(36)41(33-16-8-12-20-37(33)45)39-27(2)22-24-29(4)43(39)45/h5-24,40-41H,25H2,1-4H3/t40-,41-,44-,45-
InChIKey XBHLMQULJICCLF-KOSACMAHSA-N
Instrument Name Varian XL-100
Literature Reference A. Guenzi, C.A. Johnson, F. Cozzi, J. Am. Chem. Soc. 105, 1438 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H2Cl4