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5,5-bis(3-Bromobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

View entire compound with spectra: 2 NMR

5,5-bis(3-Bromobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID DBL58tFdWmE
InChI InChI=1S/C20H18Br2O4/c1-19(2)25-17(23)20(18(24)26-19,11-13-5-3-7-15(21)9-13)12-14-6-4-8-16(22)10-14/h3-10H,11-12H2,1-2H3
InChIKey SKHZOIPGUGTWBE-UHFFFAOYSA-N
Mol Weight 482.17 g/mol
Molecular Formula C20H18Br2O4
Exact Mass 479.957185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XAOjcugzxI
Name 5,5-bis(3-Bromobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 479.957185056 u
Formula C20H18Br2O4
InChI InChI=1S/C20H18Br2O4/c1-19(2)25-17(23)20(18(24)26-19,11-13-5-3-7-15(21)9-13)12-14-6-4-8-16(22)10-14/h3-10H,11-12H2,1-2H3
InChIKey SKHZOIPGUGTWBE-UHFFFAOYSA-N
Molecular Weight 482.168 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)(CC=1C=C(Br)C=CC1)CC=1C=C(Br)C=CC1