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Tritriptycene

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Tritriptycene
SpectraBase Compound ID 5SIqTfMbN4f
InChI InChI=1S/C62H38/c1-2-14-32-31(13-1)55-33-15-3-4-16-34(33)56(32)44-26-50-49(25-43(44)55)61-51-27-45-47(59-39-21-9-5-17-35(39)57(45)36-18-6-10-22-40(36)59)29-53(51)62(50)54-30-48-46(28-52(54)61)58-37-19-7-11-23-41(37)60(48)42-24-12-8-20-38(42)58/h1-30,55-62H/t55-,56-,57-,58-,59-,60-,61-,62+
InChIKey XVZPSOGOJXAJNZ-RXLXEWDSSA-N
Mol Weight 783.0 g/mol
Molecular Formula C62H38
Exact Mass 782.297351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7BFVhqE8Lo
Name Tritriptycene
CAS Registry Number 103960-12-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C62H38
InChI InChI=1S/C62H38/c1-2-14-32-31(13-1)55-33-15-3-4-16-34(33)56(32)44-26-50-49(25-43(44)55)61-51-27-45-47(59-39-21-9-5-17-35(39)57(45)36-18-6-10-22-40(36)59)29-53(51)62(50)54-30-48-46(28-52(54)61)58-37-19-7-11-23-41(37)60(48)42-24-12-8-20-38(42)58/h1-30,55-62H/t55-,56-,57-,58-,59-,60-,61-,62+
InChIKey XVZPSOGOJXAJNZ-RXLXEWDSSA-N
Literature Reference A. Bashir-Hashemi, H. Hart, D.L.Ward, J. Am. Chem. Soc. 108, 6875 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported