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2R,6S-2,6-di(t-Butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID 1OtIjIrUfYd
InChI InChI=1S/C13H21F3O3/c1-10(2,3)9-18-8(17)7-12(19-9,11(4,5)6)13(14,15)16/h9H,7H2,1-6H3/t9-,12-/m0/s1
InChIKey ZQJWZPAYFCNOAQ-CABZTGNLSA-N
Mol Weight 282.3 g/mol
Molecular Formula C13H21F3O3
Exact Mass 282.144279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Lqx6LATf6e
Name 2R,6S-2,6-di(t-Butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
Alternate Name(s) (2R,6S)-2,6-ditert-butyl-6-(trifluoromethyl)-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21F3O3
InChI InChI=1S/C13H21F3O3/c1-10(2,3)9-18-8(17)7-12(19-9,11(4,5)6)13(14,15)16/h9H,7H2,1-6H3/t9-,12-/m0/s1
InChIKey ZQJWZPAYFCNOAQ-CABZTGNLSA-N
Molecular Weight 282.303 g/mol
SMILES [C@@]1(O[C@@](C(C)(C)C)(OC(C1)=O)[H])(C(F)(F)F)C(C)(C)C
SPLASH splash10-056r-9400000000-211153191c456d2fdc6f
Source of Spectrum K-127-575-24
Wiley ID 1285504