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(NO2)-OCT-MC-6
SpectraBase Compound ID JIEEXPJgL5G
InChI InChI=1S/C54H73NO10/c1-3-5-7-9-11-13-24-62-51-42-18-16-22-46(51)38-48-40-50(55(56)57)41-49-39-47-23-17-19-43(52(47)63-25-14-12-10-8-6-4-2)37-45-21-15-20-44(36-42)53(45)64-34-32-60-30-28-58-26-27-59-29-31-61-33-35-65-54(48)49/h15-23,40-41H,3-14,24-39H2,1-2H3
InChIKey VCYFIGWQADGZEI-UHFFFAOYSA-N
Mol Weight 896.2 g/mol
Molecular Formula C54H73NO10
Exact Mass 895.523448 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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