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[(1R,2R,4R,12S)-4-HYDROXYCINEOL-2-YL]-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLBENZENEACETATE
SpectraBase Compound ID 5D1bJeYOUp3
InChI InChI=1S/C20H25F3O5/c1-16(2)18(25)11-10-17(3,28-16)14(12-18)27-15(24)19(26-4,20(21,22)23)13-8-6-5-7-9-13/h5-9,14,25H,10-12H2,1-4H3/t14-,17-,18-,19?/m0/s1
InChIKey WQZABIWHHBBEDO-CTQCHYAJSA-N
Mol Weight 402.41 g/mol
Molecular Formula C20H25F3O5
Exact Mass 402.165408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNzWXEeJILm
Name [(1S,2S,4S,12S)-4-HYDROXYCINEOL-2-YL]-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLBENZENEACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25F3O5
InChI InChI=1S/C20H25F3O5/c1-16(2)18(25)11-10-17(3,28-16)14(12-18)27-15(24)19(26-4,20(21,22)23)13-8-6-5-7-9-13/h5-9,14,25H,10-12H2,1-4H3/t14-,17-,18-,19?/m0/s1
InChIKey WQZABIWHHBBEDO-CTQCHYAJSA-N
Literature Reference Author R.M.CARMAN,A.C.RAYNER
Literature Reference Citation AUSTR.J.CHEM.,49,1(1996)
Molecular Weight 402.411 g/mol
Solvent CDCl3
Source File Reference UWRK2871