25,26,27,28-TETRAKIS-[3-[(PYRIDINE-2-THIOCARBOXY)-AMINO]-PROPOXY]-PARA-TERT.-BUTYLCALIX-[4]-ARENE

SpectraBase Compound ID	4sWCVXrATdc
InChI	InChI=1S/C80H96N8O4S4/c1-77(2,3)61-45-53-41-55-47-62(78(4,5)6)49-57(70(55)90-38-22-34-86-74(94)66-26-14-18-30-82-66)43-59-51-64(80(10,11)12)52-60(72(59)92-40-24-36-88-76(96)68-28-16-20-32-84-68)44-58-50-63(79(7,8)9)48-56(71(58)91-39-23-35-87-75(95)67-27-15-19-31-83-67)42-54(46-61)69(53)89-37-21-33-85-73(93)65-25-13-17-29-81-65/h13-20,25-32,45-52H,21-24,33-44H2,1-12H3,(H,85,93)(H,86,94)(H,87,95)(H,88,96)
InChIKey	JRIUVQFJCXILMJ-UHFFFAOYSA-N Google Search
Mol Weight	1361.9 g/mol
Molecular Formula	C80H96N8O4S4
Exact Mass	1360.643738 g/mol

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SpectraBase Spectrum ID	G4mN05N8VFV
Name	25,26,27,28-TETRAKIS-[3-[(PYRIDINE-2-THIOCARBOXY)-AMINO]-PROPOXY]-PARA-TERT.-BUTYLCALIX-[4]-ARENE
Compound Number	25
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C80H96N8O4S4
InChI	InChI=1S/C80H96N8O4S4/c1-77(2,3)61-45-53-41-55-47-62(78(4,5)6)49-57(70(55)90-38-22-34-86-74(94)66-26-14-18-30-82-66)43-59-51-64(80(10,11)12)52-60(72(59)92-40-24-36-88-76(96)68-28-16-20-32-84-68)44-58-50-63(79(7,8)9)48-56(71(58)91-39-23-35-87-75(95)67-27-15-19-31-83-67)42-54(46-61)69(53)89-37-21-33-85-73(93)65-25-13-17-29-81-65/h13-20,25-32,45-52H,21-24,33-44H2,1-12H3,(H,85,93)(H,86,94)(H,87,95)(H,88,96)
InChIKey	JRIUVQFJCXILMJ-UHFFFAOYSA-N
Literature Reference Author	A.CASNATI,N.D.CA,M.FONTANELLA,F.SANSONE,F.UGOZZOLI,R.UNGARO, K.LIGER,J.F.DOZOL
Literature Reference Citation	EUR.J.ORG.CHEM.,2338(2005)
Molecular Weight	1361.933 g/mol
Sample ID	39357
Solvent	CDCl3