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[(2R,3S,4S)-5-[(S)-HYDROXYMETHYL]-3-METHYL-4-AZONIA-1-BORANUIDASPIRO-[3.4]-OCTAN-2-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE
SpectraBase Compound ID 3sFd3koTyDo
InChI InChI=1S/2C26H32BNOP.2BrH/c2*1-21-26(27-28(21)19-11-12-22(28)20-29)30(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;;/h2*2-10,13-18,21-22,26,29H,11-12,19-20,27H2,1H3;2*1H/q2*+1;;/p-2/t2*21-,22?,26-,28?;;/m00../s1
InChIKey KOGKXBCFDLOZKJ-ZDHOORGKSA-L
Mol Weight 988.44 g/mol
Molecular Formula C52H60B2Br2N2O2P2
Exact Mass 986.26829 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lu9IB1rf1A0
Name [(2R,3S,4S)-5-[(S)-HYDROXYMETHYL]-3-METHYL-4-AZONIA-1-BORANUIDASPIRO-[3.4]-OCTAN-2-YL]-TRIPHENYLPHOSPHONIUM-BROMIDE
Compound Number 4DA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H60B2Br2N2O2P2
InChI InChI=1S/2C26H32BNOP.2BrH/c2*1-21-26(27-28(21)19-11-12-22(28)20-29)30(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;;/h2*2-10,13-18,21-22,26,29H,11-12,19-20,27H2,1H3;2*1H/q2*+1;;/p-2/t2*21-,22?,26-,28?;;/m00../s1
InChIKey KOGKXBCFDLOZKJ-ZDHOORGKSA-L
Literature Reference Author B.L.BOOTH,N.J.LAWRENCE,H.S.RASHID
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3509(1997)
Literature Reference DOI 10.1039/a703936k
Solvent CDCl3
Source File Reference UWRU8075