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(2R,5S)-2-tert-butyl-5-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID 8k5MWp6rKDz
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-CAHLUQPWSA-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 503vgBWYQJ2
Name (2R,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-CAHLUQPWSA-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 splash10-0abc-9400000000-2bf461363bc364cfa5f4
Source of Spectrum U1-1999-2539-13
Wiley ID 752184