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KYJSTIZZKOIHKU-NZXSLXPZSA-N

View entire compound with spectra: 1 NMR

KYJSTIZZKOIHKU-NZXSLXPZSA-N
SpectraBase Compound ID JlWh3ot7KSy
InChI InChI=1S/C20H22B2O7/c1-12-3-7-14(8-4-12)21(23)27-19-18-17(25-20(19)29-21)16-11-24-22(26-16,28-18)15-9-5-13(2)6-10-15/h3-10,16-20,23H,11H2,1-2H3/q-2/t16?,17-,18+,19-,20-,21?,22?/m1/s1
InChIKey KYJSTIZZKOIHKU-NZXSLXPZSA-N
Mol Weight 396.0 g/mol
Molecular Formula C20H22B2O7
Exact Mass 396.155163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8mX0IBgx7F
Name KYJSTIZZKOIHKU-NZXSLXPZSA-N
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22B2O7
InChI InChI=1S/C20H22B2O7/c1-12-3-7-14(8-4-12)21(23)27-19-18-17(25-20(19)29-21)16-11-24-22(26-16,28-18)15-9-5-13(2)6-10-15/h3-10,16-20,23H,11H2,1-2H3/q-2/t16?,17-,18+,19-,20-,21?,22?/m1/s1
InChIKey KYJSTIZZKOIHKU-NZXSLXPZSA-N
Literature Reference Author M.BIELECKI,H.EGGERT,J.C.NORRILD
Literature Reference Citation J.CHEM.SOC.PERKIN-2,449(1999)
Literature Reference DOI 10.1039/a808896i
Molecular Weight 396.010 g/mol
Solvent D2O;PD=11-12
Source File Reference UWRU10285