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1,3-Dioxane-4,6-dione, 5-(4-benzyloxy-3-methoxybenzylidene)-2,2-dimethyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,3-Dioxane-4,6-dione, 5-(4-benzyloxy-3-methoxybenzylidene)-2,2-dimethyl-
SpectraBase Compound ID EXdun4iqpUZ
InChI InChI=1S/C21H20O6/c1-21(2)26-19(22)16(20(23)27-21)11-15-9-10-17(18(12-15)24-3)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKey JLHHLICVHHHLEV-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHVh4jSwTUS
Name 1,3-Dioxane-4,6-dione, 5-(4-benzyloxy-3-methoxybenzylidene)-2,2-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 368.125988358 u
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-21(2)26-19(22)16(20(23)27-21)11-15-9-10-17(18(12-15)24-3)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKey JLHHLICVHHHLEV-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=CC1=CC(=C(OCC2=CC=CC=C2)C=C1)OC