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(2S,6R)-2-tert-butyl-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID DLO2VSnMpow
InChI InChI=1S/C9H13F3O3/c1-8(2,3)7-14-5(9(10,11)12)4-6(13)15-7/h5,7H,4H2,1-3H3/t5-,7+/m1/s1
InChIKey KTQLDROTTIIFGP-VDTYLAMSSA-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 3eb7X9aN59K
Name (2S,6R)-2-tert-butyl-6-(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)7-14-5(9(10,11)12)4-6(13)15-7/h5,7H,4H2,1-3H3/t5-,7+/m1/s1
InChIKey KTQLDROTTIIFGP-VDTYLAMSSA-N
Molecular Weight 226.195 g/mol
SMILES [C@@]1(OC(=O)C[C@](C(F)(F)F)(O1)[H])(C(C)(C)C)[H]
SPLASH splash10-0abc-9200000000-015bc1f6e536b10f352b
Source of Spectrum E2-44-295-0
Wiley ID 1520224