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4-tert-Butylcalix[6]arene
SpectraBase Compound ID CBZrRniz3wo
InChI InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
InChIKey UOEYZAXKBKAKRO-UHFFFAOYSA-N
Mol Weight 973.4 g/mol
Molecular Formula C66H84O6
Exact Mass 972.62679 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F43bX9Cj0AR
Name 4-tert-Butylcalix[6]arene
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L14473
CAS Registry Number 78092-53-2
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Formula C66H84O6
InChI InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
InChIKey UOEYZAXKBKAKRO-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity 96%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms p-tert-Butylcalix[6]arene; 5,11,17,23,29,35-Hexakis(2-methyl-2-propanyl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecae ne-37,38,39,40,41,42-hexol
Technique KBr1