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(2S,5S)-2-tert-butyl-5-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID 8gi5Kz6eX4M
InChI InChI=1S/C9H13F3O3/c1-8(2,3)7-14-4-5(6(13)15-7)9(10,11)12/h5,7H,4H2,1-3H3/t5-,7-/m0/s1
InChIKey OUYBLMYMDHRMLC-FSPLSTOPSA-N
Mol Weight 226.2 g/mol
Molecular Formula C9H13F3O3
Exact Mass 226.081679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3ifTmp7o3P
Name (2S,5S)-2-tert-butyl-5-(trifluoromethyl)-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13F3O3
InChI InChI=1S/C9H13F3O3/c1-8(2,3)7-14-4-5(6(13)15-7)9(10,11)12/h5,7H,4H2,1-3H3/t5-,7-/m0/s1
InChIKey OUYBLMYMDHRMLC-FSPLSTOPSA-N
Molecular Weight 226.195 g/mol
SMILES C1(O[C@@](C(C)(C)C)(OC[C@@]1(C(F)(F)F)[H])[H])=O
SPLASH splash10-0a6u-9100000000-991341963e9c5ddedcbb
Source of Spectrum U1-1999-2539-13
Wiley ID 752183