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1-METHOXY-2-METHYL-1,1-BIS-(N-METHYL-4,5-DIPHENYL-2-IMIDAZOLYL)-2-TERT.-BUTYLTHIOPROPANOL;BIT(OOH,S-TERT.-BUTYL)
SpectraBase Compound ID Ft9UyPatoNK
InChI InChI=1S/C41H44N4OS/c1-39(2,3)47-40(4,5)41(46-8,37-42-33(29-21-13-9-14-22-29)35(44(37)6)31-25-17-11-18-26-31)38-43-34(30-23-15-10-16-24-30)36(45(38)7)32-27-19-12-20-28-32/h9-28H,1-8H3
InChIKey PHNFZFQGUWOXBX-UHFFFAOYSA-N
Mol Weight 640.9 g/mol
Molecular Formula C41H44N4OS
Exact Mass 640.323583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IpBRMt4v3U
Name 1-METHOXY-2-METHYL-1,1-BIS-(N-METHYL-4,5-DIPHENYL-2-IMIDAZOLYL)-2-TERT.-BUTYLTHIOPROPANOL;BIT(OOH,S-TERT.-BUTYL)
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H44N4OS
InChI InChI=1S/C41H44N4OS/c1-39(2,3)47-40(4,5)41(46-8,37-42-33(29-21-13-9-14-22-29)35(44(37)6)31-25-17-11-18-26-31)38-43-34(30-23-15-10-16-24-30)36(45(38)7)32-27-19-12-20-28-32/h9-28H,1-8H3
InChIKey PHNFZFQGUWOXBX-UHFFFAOYSA-N
Literature Reference Author F.LIU,R.ANIS,E.HWANG,R.OVALLE,A.VRELA-RAMIREZ,R.J.AGUILERA,M .CONTEL
Literature Reference Citation MOLECULES,16,6701(2011)
Literature Reference DOI 10.3390/molecules16086701
Molecular Weight 640.887 g/mol
Sample ID 35
Solvent CDCl3