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

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4'-(1,1-DIMETHYLETHYL)-BENZO-27-CROWN-9
SpectraBase Compound ID 4UFIacj0jse
InChI InChI=1S/C26H44O9/c1-26(2,3)23-4-5-24-25(22-23)35-21-19-33-17-15-31-13-11-29-9-7-27-6-8-28-10-12-30-14-16-32-18-20-34-24/h4-5,22H,6-21H2,1-3H3
InChIKey ISAQBIKNALNJDK-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C26H44O9
Exact Mass 500.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnxKk6giaEa
Name 4'-(1,1-DIMETHYLETHYL)-BENZO-27-CROWN-9
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44O9
InChI InChI=1S/C26H44O9/c1-26(2,3)23-4-5-24-25(22-23)35-21-19-33-17-15-31-13-11-29-9-7-27-6-8-28-10-12-30-14-16-32-18-20-34-24/h4-5,22H,6-21H2,1-3H3
InChIKey ISAQBIKNALNJDK-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 500.630 g/mol
Solvent CDCl3
Source File Reference UWCS11710