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(3E)-7,11-Dihydroxy-3,7,11-trimethyldodeca-1,3-diene-6,10-diyl Bis[.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
SpectraBase Compound ID CG4Ok4b1MpC
InChI InChI=1S/C35H42F6O8/c1-8-23(2)19-20-27(49-29(43)33(47-7,35(39,40)41)25-17-13-10-14-18-25)31(5,45)22-21-26(30(3,4)44)48-28(42)32(46-6,34(36,37)38)24-15-11-9-12-16-24/h8-19,26-27,44-45H,1,20-22H2,2-7H3/b23-19+
InChIKey ULXOBZAUOXRBEZ-FCDQGJHFSA-N
Mol Weight 704.7 g/mol
Molecular Formula C35H42F6O8
Exact Mass 704.278387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RutVxhtoWM
Name (3E)-7,11-Dihydroxy-3,7,11-trimethyldodeca-1,3-diene-6,10-diyl Bis[.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
Alternate Name(s) (3E)-1-{1,5-dihydroxy-1,5-dimethyl-4-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy]hexyl}-4-methyl-3,5-hexadienyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H42F6O8
InChI InChI=1S/C35H42F6O8/c1-8-23(2)19-20-27(49-29(43)33(47-7,35(39,40)41)25-17-13-10-14-18-25)31(5,45)22-21-26(30(3,4)44)48-28(42)32(46-6,34(36,37)38)24-15-11-9-12-16-24/h8-19,26-27,44-45H,1,20-22H2,2-7H3/b23-19+
InChIKey ULXOBZAUOXRBEZ-FCDQGJHFSA-N
Molecular Weight 704.703 g/mol
SMILES OC(C(CCC(C(OC(C(C(F)(F)F)(c1ccccc1)OC)=O)C\C=C\(C=C)C)(O)C)OC(C(C(F)(F)F)(c1ccccc1)OC)=O)(C)C
SPLASH splash10-000i-1900000000-b662a9c25895869ccfbb
Source of Spectrum SO-0-121-15
Wiley ID 873150