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4'-(1,1-DIMETHYLPENTYL)-BENZO-27-CROWN-9

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4'-(1,1-DIMETHYLPENTYL)-BENZO-27-CROWN-9
SpectraBase Compound ID 7FHjv4FKcMF
InChI InChI=1S/C29H50O9/c1-4-5-8-29(2,3)26-6-7-27-28(25-26)38-24-22-36-20-18-34-16-14-32-12-10-30-9-11-31-13-15-33-17-19-35-21-23-37-27/h6-7,25H,4-5,8-24H2,1-3H3
InChIKey YPQNJDZKYSBBMB-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C29H50O9
Exact Mass 542.345483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BE7i0jMAlLy
Name 4'-(1,1-DIMETHYLPENTYL)-BENZO-27-CROWN-9
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O9
InChI InChI=1S/C29H50O9/c1-4-5-8-29(2,3)26-6-7-27-28(25-26)38-24-22-36-20-18-34-16-14-32-12-10-30-9-11-31-13-15-33-17-19-35-21-23-37-27/h6-7,25H,4-5,8-24H2,1-3H3
InChIKey YPQNJDZKYSBBMB-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 542.711 g/mol
Solvent CDCl3
Source File Reference UWCS11712