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(3E,6E)-11-Hydroxy-3,7,11-trimethyldodeca-1,3,10-triene-10-yl .alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3E,6E)-11-Hydroxy-3,7,11-trimethyldodeca-1,3,10-triene-10-yl .alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate
SpectraBase Compound ID 9Z244H1rTOe
InChI InChI=1S/C25H33F3O4/c1-7-18(2)12-11-13-19(3)16-17-21(23(4,5)30)32-22(29)24(31-6,25(26,27)28)20-14-9-8-10-15-20/h7-10,12-15,21,30H,1,11,16-17H2,2-6H3/b18-12+,19-13+
InChIKey BKGHHDQIIJBOEQ-KLCVKJMQSA-N
Mol Weight 454.5 g/mol
Molecular Formula C25H33F3O4
Exact Mass 454.233094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3UOrW24sBtV
Name (3E,6E)-11-Hydroxy-3,7,11-trimethyldodeca-1,3,10-triene-10-yl .alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.233094028 u
Formula C25H33F3O4
InChI InChI=1S/C25H33F3O4/c1-7-18(2)12-11-13-19(3)16-17-21(23(4,5)30)32-22(29)24(31-6,25(26,27)28)20-14-9-8-10-15-20/h7-10,12-15,21,30H,1,11,16-17H2,2-6H3/b18-12+,19-13+
InChIKey BKGHHDQIIJBOEQ-KLCVKJMQSA-N
Molecular Weight 454.530 g/mol
SMILES C(C(OC(C(O)(C)C)CC\C(=C\C\C=C\(C=C)C)C)=O)(C(F)(F)F)(C1=CC=CC=C1)OC