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DL-Bis(2,3-dimethyl-9-triptycyl)-carbinol

View entire compound with spectra: 2 NMR

DL-Bis(2,3-dimethyl-9-triptycyl)-carbinol
SpectraBase Compound ID CjASUTfRvwH
InChI InChI=1S/C45H36O/c1-25-21-33-39(23-27(25)3)44(35-17-9-5-13-29(35)41(33)30-14-6-10-18-36(30)44)43(46)45-37-19-11-7-15-31(37)42(32-16-8-12-20-38(32)45)34-22-26(2)28(4)24-40(34)45/h5-24,41-43,46H,1-4H3/t41-,42-,44+,45+
InChIKey YRQSPZAFCCGNIH-VSAXJVMGSA-N
Mol Weight 592.8 g/mol
Molecular Formula C45H36O
Exact Mass 592.276616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hj15fWq4D7i
Name DL-Bis(2,3-dimethyl-9-triptycyl)-carbinol
CAS Registry Number 84170-85-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H36O
InChI InChI=1S/C45H36O/c1-25-21-33-39(23-27(25)3)44(35-17-9-5-13-29(35)41(33)30-14-6-10-18-36(30)44)43(46)45-37-19-11-7-15-31(37)42(32-16-8-12-20-38(32)45)34-22-26(2)28(4)24-40(34)45/h5-24,41-43,46H,1-4H3/t41-,42-,44+,45+
InChIKey YRQSPZAFCCGNIH-VSAXJVMGSA-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 CDCl3