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(NO2)3-OCT-MC-6
SpectraBase Compound ID 9asIUuxIz6c
InChI InChI=1S/C54H71N3O14/c1-3-5-7-9-11-13-18-68-52-42-30-40-16-15-17-41-31-43-35-49(56(60)61)37-45(53(43)69-19-14-12-10-8-6-4-2)33-47-39-50(57(62)63)38-46(32-44(52)36-48(34-42)55(58)59)54(47)71-29-27-67-25-23-65-21-20-64-22-24-66-26-28-70-51(40)41/h15-17,34-39H,3-14,18-33H2,1-2H3
InChIKey LCJWQWPGCZRQPB-UHFFFAOYSA-N
Mol Weight 986.2 g/mol
Molecular Formula C54H71N3O14
Exact Mass 985.493604 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Study of the nitration of di-n-octylcrown-6 calix[4]arene using LC–MS, NMR, and molecular modelling Canadian Journal of Chemistry 2005

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