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3-(4'-METHOXYPHENYL)-2,2,4-TRIMETHYLPENTYL-4-TOLUENESULFONATE

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3-(4'-METHOXYPHENYL)-2,2,4-TRIMETHYLPENTYL-4-TOLUENESULFONATE
SpectraBase Compound ID AaaEq1k5ADT
InChI InChI=1S/C22H30O4S/c1-16(2)21(18-9-11-19(25-6)12-10-18)22(4,5)15-26-27(23,24)20-13-7-17(3)8-14-20/h7-14,16,21H,15H2,1-6H3
InChIKey KXUXZZDWJMSSPE-UHFFFAOYSA-N
Mol Weight 390.54 g/mol
Molecular Formula C22H30O4S
Exact Mass 390.186481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAB80wZ62Oy
Name 3-(4'-METHOXYPHENYL)-2,2,4-TRIMETHYLPENTYL-4-TOLUENESULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4S
InChI InChI=1S/C22H30O4S/c1-16(2)21(18-9-11-19(25-6)12-10-18)22(4,5)15-26-27(23,24)20-13-7-17(3)8-14-20/h7-14,16,21H,15H2,1-6H3
InChIKey KXUXZZDWJMSSPE-UHFFFAOYSA-N
Literature Reference Author D.J.COLLINS,H.A.JACOBS
Literature Reference Citation AUSTR.J.CHEM.,39,2095(1986)
Literature Reference DOI 10.1071/ch9862095
Molecular Weight 390.538 g/mol
Solvent CDCl3
Source File Reference UWED14006