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HXHGTTFWERUFRK-UHFFFAOYSA-N

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HXHGTTFWERUFRK-UHFFFAOYSA-N
SpectraBase Compound ID CNJZsuoO27A
InChI InChI=1S/C40H42N4O8/c1-41-33(45)21-49-37-25-7-3-8-26(37)18-30-12-6-14-32-20-28-10-4-9-27(38(28)50-22-34(46)42-2)19-31-13-5-11-29(17-25)39(31)51-23-35(47)43-15-16-44-36(48)24-52-40(30)32/h3-14H,15-24H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)
InChIKey HXHGTTFWERUFRK-UHFFFAOYSA-N
Mol Weight 706.8 g/mol
Molecular Formula C40H42N4O8
Exact Mass 706.300264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMSjKqsDvpN
Name MAJOR_ISOMER
Compound Number 9_1,3-ALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42N4O8
InChI InChI=1S/C40H42N4O8/c1-41-33(45)21-49-37-25-7-3-8-26(37)18-30-12-6-14-32-20-28-10-4-9-27(38(28)50-22-34(46)42-2)19-31-13-5-11-29(17-25)39(31)51-23-35(47)43-15-16-44-36(48)24-52-40(30)32/h3-14H,15-24H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)
InChIKey HXHGTTFWERUFRK-UHFFFAOYSA-N
Literature Reference Author F.BENEVELLI,J.KLINOWSKI,I.BITTER,A.GRUEN,B.BALAZS,G.TOTH
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1187(2002)
Literature Reference DOI 10.1039/b110978m
Molecular Weight 706.795 g/mol
Solvent SOLID-STATE
Source File Reference UWMZ22264