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Methy; (E)-2-(benzyloxycarbonylamino)-3-[4-(5,5-dimethyl-1,3,2-dioxaboran-2-yl)phenyl]acrylate
SpectraBase Compound ID dNNemAU2iX
InChI InChI=1S/C23H26BNO6/c1-23(2)15-30-24(31-16-23)19-11-9-17(10-12-19)13-20(21(26)28-3)25-22(27)29-14-18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3,(H,25,27)/b20-13+
InChIKey XATPOOKXHWPXPK-DEDYPNTBSA-N
Mol Weight 423.3 g/mol
Molecular Formula C23H26BNO6
Exact Mass 423.185318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37zCtHvrSIr
Name Methy; (E)-2-(benzyloxycarbonylamino)-3-[4-(5,5-dimethyl-1,3,2-dioxaboran-2-yl)phenyl]acrylate
Comments Computed using HOSE algorithm
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Exact Mass 423.185317725 u
Formula C23H26BNO6
InChI InChI=1S/C23H26BNO6/c1-23(2)15-30-24(31-16-23)19-11-9-17(10-12-19)13-20(21(26)28-3)25-22(27)29-14-18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3,(H,25,27)/b20-13+
InChIKey XATPOOKXHWPXPK-DEDYPNTBSA-N
Molecular Weight 423.272 g/mol
SMILES C1OB(OCC1(C)C)C=1C=CC(\C=C/(NC(=O)OCC2=CC=CC=C2)C(=O)OC)=CC1