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(E,2R,6R)-2-TERT.-BUTYL-6-METHYL-5-(PARA-TRIFLUOROMETHYLBENZYLIDEN)-1,3-DIOXAN-4-ONE
SpectraBase Compound ID B57GSFG8qbs
InChI InChI=1S/C17H19F3O3/c1-10-13(14(21)23-15(22-10)16(2,3)4)9-11-5-7-12(8-6-11)17(18,19)20/h5-10,15H,1-4H3/b13-9+/t10-,15-/m1/s1
InChIKey PUZZWUHMABKFKR-GOMWMOKBSA-N
Mol Weight 328.33 g/mol
Molecular Formula C17H19F3O3
Exact Mass 328.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kif6fkK1NTR
Name (E,2R,6R)-2-(t-butyl)-5-(p-trifluoromethylbenzylidene)-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19F3O3
InChI InChI=1S/C17H19F3O3/c1-10-13(14(21)23-15(22-10)16(2,3)4)9-11-5-7-12(8-6-11)17(18,19)20/h5-10,15H,1-4H3/b13-9+/t10-,15-/m1/s1
InChIKey PUZZWUHMABKFKR-GOMWMOKBSA-N
Molecular Weight 328.331 g/mol
SMILES C1(\C([C@](O[C@](O1)(C(C)(C)C)[H])(C)[H])=C\c1ccc(C(F)(F)F)cc1)=O
SPLASH splash10-002g-8950000000-24c6e0c23b0bb94fb7a6
Source of Spectrum K-123-2421-0
Synonyms (2R,5E,6R)-2-tert-butyl-6-methyl-5-[4-(trifluoromethyl)benzylidene]-1,3-dioxan-4-one
Wiley ID 1326119