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5-(2-FLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
SpectraBase Compound ID 3YRBEIzBMtv
InChI InChI=1S/C36H53FO3/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-22-36(8)23-21-31-33(30-19-9-10-20-32(30)37)35(39-29(7)38)28(6)27(5)34(31)40-36/h9-10,19-20,24-26H,11-18,21-23H2,1-8H3/t25-,26-,36-/m1/s1
InChIKey JPWVVYAUCLIZKF-PDOBOUQHSA-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 JsBeRXKmV40
Name 5-(2-FLUOROPHENYL)-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-6-YL-ACETATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53FO3
InChI InChI=1S/C36H53FO3/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-22-36(8)23-21-31-33(30-19-9-10-20-32(30)37)35(39-29(7)38)28(6)27(5)34(31)40-36/h9-10,19-20,24-26H,11-18,21-23H2,1-8H3/t25-,26-,36-/m1/s1
InChIKey JPWVVYAUCLIZKF-PDOBOUQHSA-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 UWBT21044