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2R,5R,6R-5-Bromo-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID L7kFBtwQJTV
InChI InChI=1S/C9H12BrF3O3/c1-8(2,3)7-15-5(9(11,12)13)4(10)6(14)16-7/h4-5,7H,1-3H3/t4-,5+,7-/m1/s1
InChIKey FWQAVYONPCKTPV-JCGDXUMPSA-N
Mol Weight 305.09 g/mol
Molecular Formula C9H12BrF3O3
Exact Mass 303.992192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bm4jFvWx2bG
Name 2R,5R,6R-5-Bromo-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
Alternate Name(s) (2R,5R,6R)-5-bromo-2-tert-butyl-6-(trifluoromethyl)-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12BrF3O3
InChI InChI=1S/C9H12BrF3O3/c1-8(2,3)7-15-5(9(11,12)13)4(10)6(14)16-7/h4-5,7H,1-3H3/t4-,5+,7-/m1/s1
InChIKey FWQAVYONPCKTPV-JCGDXUMPSA-N
Molecular Weight 305.091 g/mol
SMILES [C@]1(O[C@@](C(C)(C)C)(OC([C@@]1(Br)[H])=O)[H])(C(F)(F)F)[H]
SPLASH splash10-0kbf-9020000000-e4ae0a6e48d8bbcf7d5b
Source of Spectrum K-127-574-15
Wiley ID 1305912