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5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis{[N-(methoxycarbonyl)carbamoyl]methoxy}-calix[4]arene
SpectraBase Compound ID 6SvaYooKI8L
InChI InChI=1S/C60H76N4O16/c1-57(2,3)41-21-33-17-35-23-42(58(4,5)6)25-37(50(35)78-30-46(66)62-54(70)74-14)19-39-27-44(60(10,11)12)28-40(52(39)80-32-48(68)64-56(72)76-16)20-38-26-43(59(7,8)9)24-36(51(38)79-31-47(67)63-55(71)75-15)18-34(22-41)49(33)77-29-45(65)61-53(69)73-13/h21-28H,17-20,29-32H2,1-16H3,(H,61,65,69)(H,62,66,70)(H,63,67,71)(H,64,68,72)
InChIKey BNRRHAWPWKCPJK-UHFFFAOYSA-N
Mol Weight 1109.3 g/mol
Molecular Formula C60H76N4O16
Exact Mass 1108.525632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHjCBrnghQw
Name 5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis{[N-(methoxycarbonyl)carbamoyl]methoxy}-calix[4]arene
Alternate Name(s) Methyl N-(2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris({2-[(methoxycarbonyl)amino]-2-oxoethoxy})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}acetyl)carbamate
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Formula C60H76N4O16
InChI InChI=1S/C60H76N4O16/c1-57(2,3)41-21-33-17-35-23-42(58(4,5)6)25-37(50(35)78-30-46(66)62-54(70)74-14)19-39-27-44(60(10,11)12)28-40(52(39)80-32-48(68)64-56(72)76-16)20-38-26-43(59(7,8)9)24-36(51(38)79-31-47(67)63-55(71)75-15)18-34(22-41)49(33)77-29-45(65)61-53(69)73-13/h21-28H,17-20,29-32H2,1-16H3,(H,61,65,69)(H,62,66,70)(H,63,67,71)(H,64,68,72)
InChIKey BNRRHAWPWKCPJK-UHFFFAOYSA-N
Molecular Weight 1109.280 g/mol
SMILES N(C(COc1c2Cc3c(c(Cc4c(OCC(NC(=O)OC)=O)c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCC(NC(=O)OC)=O)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)OCC(NC(=O)OC)=O)=O)C(=O)OC
SPLASH splash10-03di-0904034114-5491365d75853007a963
Source of Spectrum G-66-659-5
Wiley ID 871870