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4-tert-Butylcalix[6]arene

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2tOZVVtvbEF
Name 4-tert-Butylcalix[6]arene
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L14473
Lot Number 10106346
CAS Registry Number 78092-53-2
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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.
Technique ATR-Neat (DuraSamplIR II)