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5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(phenylcarbamoylmethyloxy)calix[4]arene
SpectraBase Compound ID 5CCmeTmFIaS
InChI InChI=1S/C76H84N4O8/c1-73(2,3)57-37-49-33-51-39-58(74(4,5)6)41-53(70(51)86-46-66(82)78-62-27-19-14-20-28-62)35-55-43-60(76(10,11)12)44-56(72(55)88-48-68(84)80-64-31-23-16-24-32-64)36-54-42-59(75(7,8)9)40-52(71(54)87-47-67(83)79-63-29-21-15-22-30-63)34-50(38-57)69(49)85-45-65(81)77-61-25-17-13-18-26-61/h13-32,37-44H,33-36,45-48H2,1-12H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84)
InChIKey GCTOFHKDMIZFOJ-UHFFFAOYSA-N
Mol Weight 1181.5 g/mol
Molecular Formula C76H84N4O8
Exact Mass 1180.628916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAc6BzItNXn
Name 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(phenylcarbamoylmethyloxy)calix[4]arene
Alternate Name(s) N-phenyl-2-({5,11,17,23-tetra-tert-butyl-26,27,28-tris[(phenylcarbamoyl)methoxy]pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl}oxy)acetamide
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Formula C76H84N4O8
InChI InChI=1S/C76H84N4O8/c1-73(2,3)57-37-49-33-51-39-58(74(4,5)6)41-53(70(51)86-46-66(82)78-62-27-19-14-20-28-62)35-55-43-60(76(10,11)12)44-56(72(55)88-48-68(84)80-64-31-23-16-24-32-64)36-54-42-59(75(7,8)9)40-52(71(54)87-47-67(83)79-63-29-21-15-22-30-63)34-50(38-57)69(49)85-45-65(81)77-61-25-17-13-18-26-61/h13-32,37-44H,33-36,45-48H2,1-12H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84)
InChIKey GCTOFHKDMIZFOJ-UHFFFAOYSA-N
Molecular Weight 1181.528 g/mol
SMILES N(C(COc1c2Cc3c(c(Cc4c(OCC(Nc5ccccc5)=O)c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCC(Nc1ccccc1)=O)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)OCC(Nc1ccccc1)=O)=O)c1ccccc1
SPLASH splash10-01rt-6900000000-9c7471bba915ec3da7a1
Source of Spectrum O1-36-1324-5
Wiley ID 819921