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5-(2,3-DIFLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
SpectraBase Compound ID 2zwGlWJJGQs
InChI InChI=1S/2C36H52F2O3/c2*1-23(2)13-9-14-24(3)15-10-16-25(4)17-12-21-36(8)22-20-30-32(29-18-11-19-31(37)33(29)38)35(40-28(7)39)27(6)26(5)34(30)41-36/h2*11,18-19,23-25H,9-10,12-17,20-22H2,1-8H3/t2*24-,25-,36-/m11/s1
InChIKey FNCBOXXJUOXKAD-UFTCSTMVSA-N
Mol Weight 1141.6 g/mol
Molecular Formula C72H104F4O6
Exact Mass 1140.776904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bkn7JAmQAgk
Name 5-(2,3-DIFLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H104F4O6
InChI InChI=1S/2C36H52F2O3/c2*1-23(2)13-9-14-24(3)15-10-16-25(4)17-12-21-36(8)22-20-30-32(29-18-11-19-31(37)33(29)38)35(40-28(7)39)27(6)26(5)34(30)41-36/h2*11,18-19,23-25H,9-10,12-17,20-22H2,1-8H3/t2*24-,25-,36-/m11/s1
InChIKey FNCBOXXJUOXKAD-UFTCSTMVSA-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 1141.608 g/mol
Solvent CDCl3
Source File Reference UWBT21051