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R(-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETYLCHLORIDE-LABDA-8(17),12-DIEN
SpectraBase Compound ID 8Q1LIx5wX2C
InChI InChI=1S/C37H47F3O4/c1-26-18-21-32-34(3,4)22-13-23-35(32,5)31(26)20-19-29(25-43-24-28-14-9-7-10-15-28)27(2)44-33(41)36(42-6,37(38,39)40)30-16-11-8-12-17-30/h7-12,14-17,19,27,31-32H,1,13,18,20-25H2,2-6H3/b29-19+/t27-,31-,32?,35+,36-/m0/s1
InChIKey ITRMFSVSYHAPDG-YQSBKLSRSA-N
Mol Weight 612.8 g/mol
Molecular Formula C37H47F3O4
Exact Mass 612.342644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtPSyURpls3
Name R(-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETYLCHLORIDE-LABDA-8(17),12-DIEN
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H47F3O4
InChI InChI=1S/C37H47F3O4/c1-26-18-21-32-34(3,4)22-13-23-35(32,5)31(26)20-19-29(25-43-24-28-14-9-7-10-15-28)27(2)44-33(41)36(42-6,37(38,39)40)30-16-11-8-12-17-30/h7-12,14-17,19,27,31-32H,1,13,18,20-25H2,2-6H3/b29-19+/t27-,31-,32?,35+,36-/m0/s1
InChIKey ITRMFSVSYHAPDG-YQSBKLSRSA-N
Literature Reference Author L.K.SY,G.D.BROWN
Literature Reference Citation PHYTOCHEM.,49,1741(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00298-2
Molecular Weight 612.773 g/mol
Solvent Unknown
Source File Reference UWLU668