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SBMLNVIRDKPYDU-NLKUUYCFSA-N
SpectraBase Compound ID FctkfXTRq7k
InChI InChI=1S/2C31H35BN4O5/c2*37-29(40-19-20-6-2-1-3-7-20)26(33-30(38)31-15-21-12-22(16-31)14-23(13-21)17-31)10-11-36-18-27(34-35-36)28-24-8-4-5-9-25(24)32(39)41-28/h2*1-9,18,21-23,26,28,39H,10-17,19H2,(H,33,38)/t2*21-,22+,23-,26-,28?,31-/m00/s1
InChIKey SBMLNVIRDKPYDU-NLKUUYCFSA-N
Mol Weight 1108.9 g/mol
Molecular Formula C62H70B2N8O10
Exact Mass 1108.540101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5zdZxqonND
Name SBMLNVIRDKPYDU-NLKUUYCFSA-N
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H70B2N8O10
InChI InChI=1S/2C31H35BN4O5/c2*37-29(40-19-20-6-2-1-3-7-20)26(33-30(38)31-15-21-12-22(16-31)14-23(13-21)17-31)10-11-36-18-27(34-35-36)28-24-8-4-5-9-25(24)32(39)41-28/h2*1-9,18,21-23,26,28,39H,10-17,19H2,(H,33,38)/t2*21-,22+,23-,26-,28?,31-/m00/s1
InChIKey SBMLNVIRDKPYDU-NLKUUYCFSA-N
Literature Reference Author D.CLAES,M.HOLZAPFEL,N.CLAUSEN,W.MAISON
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6361(2013)
Literature Reference DOI 10.1002/ejoc.201300769
Molecular Weight 1108.905 g/mol
Solvent CDCl3
Source File Reference UWBT20175