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2S,5R,6R-2-(t-Butyl)-6-(trifluoromethyl)-5-benzyl-2H,4H-1,3-dioxan-4-one
SpectraBase Compound ID K9blG0k9bGU
InChI InChI=1S/C16H19F3O3/c1-15(2,3)14-21-12(16(17,18)19)11(13(20)22-14)9-10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m1/s1
InChIKey DLTWNPDTHHKEIA-BZPMIXESSA-N
Mol Weight 316.32 g/mol
Molecular Formula C16H19F3O3
Exact Mass 316.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52Tb06qaOW
Name 2S,5R,6R-2-(t-Butyl)-6-(trifluoromethyl)-5-benzyl-2H,4H-1,3-dioxan-4-one
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Formula C16H19F3O3
InChI InChI=1S/C16H19F3O3/c1-15(2,3)14-21-12(16(17,18)19)11(13(20)22-14)9-10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m1/s1
InChIKey DLTWNPDTHHKEIA-BZPMIXESSA-N
Molecular Weight 316.320 g/mol
SMILES [C@]1(C(O[C@](O[C@]1(C(F)(F)F)[H])(C(C)(C)C)[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-06r6-9340000000-468987de091cdec0496e
Source of Spectrum K-127-573-5
Synonyms (2S,5R,6R)-5-benzyl-2-tert-butyl-6-(trifluoromethyl)-1,3-dioxan-4-one
Wiley ID 1316603