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(2R,6S)-6-butyl-2-tert-butyl-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID LfKbtyFfVQN
InChI InChI=1S/C13H21F3O3/c1-5-6-7-12(13(14,15)16)8-9(17)18-10(19-12)11(2,3)4/h10H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKey ZJMFBVOFQGMJSW-JQWIXIFHSA-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 BonWhXxLU0r
Name (2R,6S)-6-butyl-2-tert-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/c1-5-6-7-12(13(14,15)16)8-9(17)18-10(19-12)11(2,3)4/h10H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKey ZJMFBVOFQGMJSW-JQWIXIFHSA-N
Molecular Weight 282.303 g/mol
SMILES [C@]1(O[C@@](C(C)(C)C)(OC(C1)=O)[H])(C(F)(F)F)CCCC
SPLASH splash10-004l-9320000000-db3c386033e9b0d2e832
Source of Spectrum K-127-575-23
Wiley ID 1285506