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KGICNFMVSOTRAJ-RWCCRQMWSA-N
SpectraBase Compound ID 80PyYlMqeAU
InChI InChI=1S/C29H41BO/c1-18-22-14-20(27(22,2)3)15-23(18)30-25-17-21-16-24(28(21,4)5)29(25,6)26(31-30)13-12-19-10-8-7-9-11-19/h7-13,18,20-26H,14-17H2,1-6H3/b13-12+/t18-,20+,21-,22-,23-,24-,25+,26+,29-/m0/s1
InChIKey KGICNFMVSOTRAJ-RWCCRQMWSA-N
Mol Weight 416.5 g/mol
Molecular Formula C29H41BO
Exact Mass 416.325046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5KFLNz3VUf
Name KGICNFMVSOTRAJ-RWCCRQMWSA-N
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H41BO
InChI InChI=1S/C29H41BO/c1-18-22-14-20(27(22,2)3)15-23(18)30-25-17-21-16-24(28(21,4)5)29(25,6)26(31-30)13-12-19-10-8-7-9-11-19/h7-13,18,20-26H,14-17H2,1-6H3/b13-12+/t18-,20+,21-,22-,23-,24-,25+,26+,29-/m0/s1
InChIKey KGICNFMVSOTRAJ-RWCCRQMWSA-N
Literature Reference Author J.BARLUENGA,F.RODRIGUEZ,J.VADECARD,M.BENDIX,F.J.FANANAS,F.LO PEZ-ORTIZ
Literature Reference Citation J.AM.CHEM.SOC.,118,6090(1996)
Literature Reference DOI 10.1021/ja954327p
Molecular Weight 416.454 g/mol
Sample ID 36810
Solvent CDCl3