2-[4-tert-butoxycarbonyl-6-[[4-tert-butoxycarbonyl-6-(4-tert-butoxycarbonyl-6-methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-6-[[4-tert-butoxycarbonyl-6-(4-tert-butoxycarbonyl-6-methyl-2-pyridyl)-2-pyridyl]methoxymethyl]isonicotinic acid tert-butyl

SpectraBase Compound ID	9JIRK54X2Lw
InChI	InChI=1S/C66H80N6O14/c1-37-21-39(55(73)81-61(3,4)5)27-49(67-37)51-29-41(57(75)83-63(9,10)11)23-45(69-51)33-79-35-47-25-43(59(77)85-65(15,16)17)31-53(71-47)54-32-44(60(78)86-66(18,19)20)26-48(72-54)36-80-34-46-24-42(58(76)84-64(12,13)14)30-52(70-46)50-28-40(22-38(2)68-50)56(74)82-62(6,7)8/h21-32H,33-36H2,1-20H3
InChIKey	JVZFFUYVBNSQGZ-UHFFFAOYSA-N Google Search
Mol Weight	1181.4 g/mol
Molecular Formula	C66H80N6O14
Exact Mass	1180.573251 g/mol

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SpectraBase Spectrum ID	AqPRDgq4wK6
Name	2-[4-tert-butoxycarbonyl-6-[[4-tert-butoxycarbonyl-6-(4-tert-butoxycarbonyl-6-methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-6-[[4-tert-butoxycarbonyl-6-(4-tert-butoxycarbonyl-6-methyl-2-pyridyl)-2-pyridyl]methoxymethyl]isonicotinic acid tert-butyl
Compound Number	3B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C66H80N6O14
InChI	InChI=1S/C66H80N6O14/c1-37-21-39(55(73)81-61(3,4)5)27-49(67-37)51-29-41(57(75)83-63(9,10)11)23-45(69-51)33-79-35-47-25-43(59(77)85-65(15,16)17)31-53(71-47)54-32-44(60(78)86-66(18,19)20)26-48(72-54)36-80-34-46-24-42(58(76)84-64(12,13)14)30-52(70-46)50-28-40(22-38(2)68-50)56(74)82-62(6,7)8/h21-32H,33-36H2,1-20H3
InChIKey	JVZFFUYVBNSQGZ-UHFFFAOYSA-N
Literature Reference Author	M.M.HARDING,U.KOERT,J.M.LEHN,A.MARQUIS-RIGAULT,C.PIGUET,J.SI EGEL
Literature Reference Citation	HELV.CHIM.ACTA,74,594(1991)
Literature Reference DOI	10.1002/hlca.19910740317
Molecular Weight	1181.393 g/mol
Solvent	CDCl3
Source File Reference	UWVP6303