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(E)-2,2-Dimethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pent-4-enoic acid methyl ester
SpectraBase Compound ID FuDsDvKKHXU
InChI InChI=1S/C14H25BO4/c1-12(2,11(16)17-7)9-8-10-15-18-13(3,4)14(5,6)19-15/h8,10H,9H2,1-7H3/b10-8+
InChIKey IFCXUPGMXPOCPE-CSKARUKUSA-N
Mol Weight 268.2 g/mol
Molecular Formula C14H25BO4
Exact Mass 268.184589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JO9ROQhqoXp
Name (E)-2,2-Dimethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pent-4-enoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 268.184589451 u
Formula C14H25BO4
InChI InChI=1S/C14H25BO4/c1-12(2,11(16)17-7)9-8-10-15-18-13(3,4)14(5,6)19-15/h8,10H,9H2,1-7H3/b10-8+
InChIKey IFCXUPGMXPOCPE-CSKARUKUSA-N
Molecular Weight 268.160 g/mol
SMILES C1(OB(OC1(C)C)\C=C\CC(C(=O)OC)(C)C)(C)C