John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=185nvpubBFs SpectraBase Spectrum ID=FD25S5RgamH

(accessed ).
5-(3-FLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
SpectraBase Compound ID 185nvpubBFs
InChI InChI=1S/C36H53FO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-12-21-36(8)22-20-32-33(30-18-11-19-31(37)23-30)35(39-29(7)38)28(6)27(5)34(32)40-36/h11,18-19,23-26H,9-10,12-17,20-22H2,1-8H3/t25-,26-,36-/m0/s1
InChIKey QQXKXHITEKACRF-NNLWJYRWSA-N
Mol Weight 552.8 g/mol
Molecular Formula C36H53FO3
Exact Mass 552.397874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FD25S5RgamH
Name 5-(3-FLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
Compound Number 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53FO3
InChI InChI=1S/C36H53FO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-12-21-36(8)22-20-32-33(30-18-11-19-31(37)23-30)35(39-29(7)38)28(6)27(5)34(32)40-36/h11,18-19,23-26H,9-10,12-17,20-22H2,1-8H3/t25-,26-,36-/m0/s1
InChIKey QQXKXHITEKACRF-NNLWJYRWSA-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 552.813 g/mol
Solvent CDCl3
Source File Reference UWBT21045
SpectraBase Batch ID 28dv1AlArRC