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Methyl 3-[4',5'-bis(benzyloxymethyl)-1',3'-dioxolane-2'-yl]-2-bromo-2-propenoate
SpectraBase Compound ID DAe40vQJVWf
InChI InChI=1S/C23H25BrO6/c1-26-23(25)19(24)12-22-29-20(15-27-13-17-8-4-2-5-9-17)21(30-22)16-28-14-18-10-6-3-7-11-18/h2-12,20-22H,13-16H2,1H3/b19-12-
InChIKey ARSZWSSYGYSPAC-UNOMPAQXSA-N
Mol Weight 477.35 g/mol
Molecular Formula C23H25BrO6
Exact Mass 476.083452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IZoyNduJOO
Name Methyl 3-[4',5'-bis(benzyloxymethyl)-1',3'-dioxolane-2'-yl]-2-bromo-2-propenoate
Comments Computed using HOSE algorithm
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Exact Mass 476.083451519 u
Formula C23H25BrO6
InChI InChI=1S/C23H25BrO6/c1-26-23(25)19(24)12-22-29-20(15-27-13-17-8-4-2-5-9-17)21(30-22)16-28-14-18-10-6-3-7-11-18/h2-12,20-22H,13-16H2,1H3/b19-12-
InChIKey ARSZWSSYGYSPAC-UNOMPAQXSA-N
Molecular Weight 477.351 g/mol
SMILES C1(\C=C\(C(=O)OC)Br)OC(COCC2=CC=CC=C2)C(O1)COCC=1C=CC=CC1