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2R,6S-2-(t-Butyl)-6-benzyl-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID FmMOv2egB2o
InChI InChI=1S/C16H19F3O3/c1-14(2,3)13-21-12(20)10-15(22-13,16(17,18)19)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3/t13-,15-/m0/s1
InChIKey FSIMAMCLDLKIOH-ZFWWWQNUSA-N
Mol Weight 316.32 g/mol
Molecular Formula C16H19F3O3
Exact Mass 316.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Lq1BeJqIas
Name 2R,6S-2-(t-Butyl)-6-benzyl-6-(trifluoromethyl)-1,3-dioxan-4-one
Alternate Name(s) (2R,6S)-6-benzyl-2-tert-butyl-6-(trifluoromethyl)-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O3
InChI InChI=1S/C16H19F3O3/c1-14(2,3)13-21-12(20)10-15(22-13,16(17,18)19)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3/t13-,15-/m0/s1
InChIKey FSIMAMCLDLKIOH-ZFWWWQNUSA-N
Molecular Weight 316.320 g/mol
SMILES [C@]1(O[C@@](C(C)(C)C)(OC(C1)=O)[H])(C(F)(F)F)Cc1ccccc1
SPLASH splash10-03dl-8790000000-6f940fc64a090b1f4c5b
Source of Spectrum K-127-576-27
Wiley ID 1316601