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Bis(m-tert-butylcyclohexyl)-18-crown-6

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

Bis(m-tert-butylcyclohexyl)-18-crown-6
SpectraBase Compound ID 74yav1LR5yY
InChI InChI=1S/C28H52O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h21-26H,7-20H2,1-6H3
InChIKey SHJRQDXUSZYABF-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H52O6
Exact Mass 484.376389 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FSHoQjw72Nt
Name bis(m-Tert-butylcyclohexyl)-18-crown-6
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.376389388 u
Formula C28H52O6
InChI InChI=1S/C28H52O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h21-26H,7-20H2,1-6H3
InChIKey SHJRQDXUSZYABF-UHFFFAOYSA-N
Molecular Weight 484.718 g/mol
SMILES C12CC(C(C)(C)C)CCC2OCCOCCOC2C(OCCOCCO1)CC(C(C)(C)C)CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92539