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5-(3,5-DIFLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
SpectraBase Compound ID JZU2fTaie8v
InChI InChI=1S/C36H52F2O3/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-18-36(8)19-17-32-33(29-20-30(37)22-31(38)21-29)35(40-28(7)39)27(6)26(5)34(32)41-36/h20-25H,9-19H2,1-8H3/t24-,25-,36-/m1/s1
InChIKey SDPKPXPVTIOGDX-HLWKFRGCSA-N
Mol Weight 570.8 g/mol
Molecular Formula C36H52F2O3
Exact Mass 570.388452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzVQiue1qMu
Name 5-(3,5-DIFLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H52F2O3
InChI InChI=1S/C36H52F2O3/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-18-36(8)19-17-32-33(29-20-30(37)22-31(38)21-29)35(40-28(7)39)27(6)26(5)34(32)41-36/h20-25H,9-19H2,1-8H3/t24-,25-,36-/m1/s1
InChIKey SDPKPXPVTIOGDX-HLWKFRGCSA-N
Literature Reference Author E.KLOSER,S.BOEHMDORFER,L.BRECKER,H.KAEHLING,T.NETSCHER,K.MER EITER,T.ROSENAU
Literature Reference Citation EUR.J.ORG.CHEM.,2011,2450(2011)
Literature Reference DOI 10.1002/ejoc.201100178
Molecular Weight 570.804 g/mol
Solvent CDCl3
Source File Reference UWBT21049