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2R,6S-2-(t-Butyl)-6-(4'-methylenecyclohexa-2',5'-dienyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID BPz0mSqBNwm
InChI InChI=1S/C16H19F3O3/c1-10-5-7-11(8-6-10)15(16(17,18)19)9-12(20)21-13(22-15)14(2,3)4/h5-8,11,13H,1,9H2,2-4H3/t13-,15-/m0/s1
InChIKey MUQYSBFBSCYYRY-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 C7YrrEYg0Qv
Name 2R,6S-2-(t-Butyl)-6-(4'-methylenecyclohexa-2',5'-dienyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O3
InChI InChI=1S/C16H19F3O3/c1-10-5-7-11(8-6-10)15(16(17,18)19)9-12(20)21-13(22-15)14(2,3)4/h5-8,11,13H,1,9H2,2-4H3/t13-,15-/m0/s1
InChIKey MUQYSBFBSCYYRY-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)C1C=CC(C=C1)=C
SPLASH splash10-01pc-9220000000-b74d2f453cff854d7755
Source of Spectrum K-127-576-26
Synonyms (2R,6S)-2-tert-butyl-6-(4-methylene-2,5-cyclohexadien-1-yl)-6-(trifluoromethyl)-1,3-dioxan-4-one
Wiley ID 1316602