John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3rjcXZZPtbx SpectraBase Spectrum ID=1iFDX1KsKnZ

(accessed ).
7,8-DIHYDRO-ALPHA-IONOL-(R)-2-METHOXY-2-PHENYL-2-TRIFLUOROMETHYL-ACETIC-ACID-ESTER
SpectraBase Compound ID 3rjcXZZPtbx
InChI InChI=1S/2C23H31F3O3/c2*1-16-10-9-15-21(3,4)19(16)14-13-17(2)29-20(27)22(28-5,23(24,25)26)18-11-7-6-8-12-18/h2*6-8,10-12,17,19H,9,13-15H2,1-5H3/t17?,19-,22+;17?,19-,22-/m10/s1
InChIKey RTQNBNVHBYZLNG-PDMZSJBVSA-N
Mol Weight 824.99 g/mol
Molecular Formula C46H62F6O6
Exact Mass 824.44506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iFDX1KsKnZ
Name 7,8-DIHYDRO-ALPHA-IONOL-(R)-2-METHOXY-2-PHENYL-2-TRIFLUOROMETHYL-ACETIC-ACID-ESTER
Compound Number 6A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H62F6O6
InChI InChI=1S/2C23H31F3O3/c2*1-16-10-9-15-21(3,4)19(16)14-13-17(2)29-20(27)22(28-5,23(24,25)26)18-11-7-6-8-12-18/h2*6-8,10-12,17,19H,9,13-15H2,1-5H3/t17?,19-,22+;17?,19-,22-/m10/s1
InChIKey RTQNBNVHBYZLNG-PDMZSJBVSA-N
Literature Reference Author S.J.MA,N.WATANABE,A.YAGI,K.SAKATA
Literature Reference Citation PHYTOCHEM.,56,819(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00361-7
Molecular Weight 824.985 g/mol
Solvent CDCl3
Source File Reference UWVN2067
SpectraBase Batch ID FyDxNlUJHly