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4'-(1,1-DIMETHYLPENTYL)-BENZO-30-CROWN-10

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4'-(1,1-DIMETHYLPENTYL)-BENZO-30-CROWN-10
SpectraBase Compound ID 2yLxZh9o2ep
InChI InChI=1S/C31H54O10/c1-4-5-8-31(2,3)28-6-7-29-30(27-28)41-26-24-39-22-20-37-18-16-35-14-12-33-10-9-32-11-13-34-15-17-36-19-21-38-23-25-40-29/h6-7,27H,4-5,8-26H2,1-3H3
InChIKey KXMGRROTHWMYAS-UHFFFAOYSA-N
Mol Weight 586.8 g/mol
Molecular Formula C31H54O10
Exact Mass 586.371698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJRjX59qSX0
Name 4'-(1,1-DIMETHYLPENTYL)-BENZO-30-CROWN-10
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H54O10
InChI InChI=1S/C31H54O10/c1-4-5-8-31(2,3)28-6-7-29-30(27-28)41-26-24-39-22-20-37-18-16-35-14-12-33-10-9-32-11-13-34-15-17-36-19-21-38-23-25-40-29/h6-7,27H,4-5,8-26H2,1-3H3
InChIKey KXMGRROTHWMYAS-UHFFFAOYSA-N
Literature Reference Author T.B.STOLWIJK,E.J.R.SUDHOELTER,D.N.REINHOUDT
Literature Reference Citation J.AM.CHEM.SOC.,111,6321(1989)
Literature Reference DOI 10.1021/ja00198a050
Molecular Weight 586.764 g/mol
Solvent CDCl3
Source File Reference UWCS11713