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4-tert-Butylcalix[4]arene

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 9 MS (GC)

4-tert-Butylcalix[4]arene
SpectraBase Compound ID Fgwicp8ku5L
InChI InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
InChIKey NVKLTRSBZLYZHK-UHFFFAOYSA-N
Mol Weight 648.9 g/mol
Molecular Formula C44H56O4
Exact Mass 648.41786 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FRHAFEs9bbQ
Name 4-tert-Butylcalix[4]arene
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B1809
Lot Number FF55O-OR
CAS Registry Number 60705-62-6
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56O4
InChI InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
InChIKey NVKLTRSBZLYZHK-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Purity >98%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)