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rel-(2S,4R,6S)-4,6-Dimethyl-2-[4'-(trifluoromethyl)phenyl]-1,3-dioxane
SpectraBase Compound ID 3Am1vsLXtux
InChI InChI=1S/C13H15F3O2/c1-8-7-9(2)18-12(17-8)10-3-5-11(6-4-10)13(14,15)16/h3-6,8-9,12H,7H2,1-2H3/t8-,9+,12-
InChIKey MISVUECRNCWCBE-BZBKMWRSSA-N
Mol Weight 260.26 g/mol
Molecular Formula C13H15F3O2
Exact Mass 260.102414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tnms9QYvW8
Name rel-(2S,4R,6S)-4,6-Dimethyl-2-[4'-(trifluoromethyl)phenyl]-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O2
InChI InChI=1S/C13H15F3O2/c1-8-7-9(2)18-12(17-8)10-3-5-11(6-4-10)13(14,15)16/h3-6,8-9,12H,7H2,1-2H3/t8-,9+,12-
InChIKey MISVUECRNCWCBE-BZBKMWRSSA-N
Molecular Weight 260.256 g/mol
SMILES [C@]1(O[C@](C)(C[C@@](O1)(C)[H])[H])(c1ccc(C(F)(F)F)cc1)[H]
SPLASH splash10-0096-9610000000-ac02378d1e2e64acc6d5
Source of Spectrum C-113-8105-1
Wiley ID 1263507