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(E,2R,6R)-5-BENZYLIDEN-2-TERT.-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE
SpectraBase Compound ID Cq8yeBLFFIs
InChI InChI=1S/C16H20O3/c1-11-13(10-12-8-6-5-7-9-12)14(17)19-15(18-11)16(2,3)4/h5-11,15H,1-4H3/b13-10+/t11-,15-/m1/s1
InChIKey RQRVAZCJBVULJW-DEQOLOFCSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60TnZpEpK68
Name (5E)-5-Benzylidene-2-tert-butyl-6-methyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5E,6R)-5-benzylidene-2-tert-butyl-6-methyl-1,3-dioxan-4-one 5-Benzylidene-2-tert-butyl-6-methyl-[1,3]dioxan-4-one (2R,5E,6R)-2-tert-butyl-6-methyl-5-(phenylmethylene)-1,3-dioxan-4-one (2R,5E,6R)-2-tert-butyl-6-methyl-5-(phenylmethylidene)-1,3-dioxan-4-one
CAS Registry Number 118356-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-11-13(10-12-8-6-5-7-9-12)14(17)19-15(18-11)16(2,3)4/h5-11,15H,1-4H3/b13-10+/t11-,15-/m1/s1
InChIKey RQRVAZCJBVULJW-DEQOLOFCSA-N
Molecular Weight 260.333 g/mol
SMILES C1(\C([C@](O[C@](O1)(C(C)(C)C)[H])(C)[H])=C\c1ccccc1)=O
SPLASH splash10-00fr-3910000000-5948a45ab6e6ed39923a
Source of Spectrum K-123-2420-0
Wiley ID 1264026