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(1R,3R)-5-[(2E,9Z)-12,12,12-tris(fluoranyl)-7,7-dimethyl-11-oxidanyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,3R)-5-[(2E,9Z)-12,12,12-tris(fluoranyl)-7,7-dimethyl-11-oxidanyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexane-1,3-diol
SpectraBase Compound ID 8PUiQLF7mvu
InChI InChI=1S/C21H30F6O3/c1-18(2,10-7-11-19(30,20(22,23)24)21(25,26)27)9-6-4-3-5-8-15-12-16(28)14-17(29)13-15/h3,5,7-8,11,16-17,28-30H,4,6,9-10,12-14H2,1-2H3/b5-3+,11-7-/t16-,17-/m1/s1
InChIKey PKGBMNJPRJDFJA-KROAHAAKSA-N
Mol Weight 444.46 g/mol
Molecular Formula C21H30F6O3
Exact Mass 444.209914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iu9ijWYxol
Name (1R,3R)-5-[(2E,9Z)-12,12,12-tris(fluoranyl)-7,7-dimethyl-11-oxidanyl-11-(trifluoromethyl)dodeca-2,9-dienylidene]cyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30F6O3
InChI InChI=1S/C21H30F6O3/c1-18(2,10-7-11-19(30,20(22,23)24)21(25,26)27)9-6-4-3-5-8-15-12-16(28)14-17(29)13-15/h3,5,7-8,11,16-17,28-30H,4,6,9-10,12-14H2,1-2H3/b5-3+,11-7-/t16-,17-/m1/s1
InChIKey PKGBMNJPRJDFJA-KROAHAAKSA-N
Molecular Weight 444.458 g/mol
SMILES O[C@]1(C[C@@](CC(C1)=C\C=C\CCCC(C\C=C/C(C(F)(F)F)(C(F)(F)F)O)(C)C)(O)[H])[H]
SPLASH splash10-000t-9040400000-2d6d0e73b425f52172d4
Source of Spectrum F-57-693-3
Wiley ID 1549416