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TERT.-BUTYL-(1S,2R,3S)-6,6-DIMETHYL-3-[BORANATO-(1-NAPHTHYL)-PHENYL-PHOSPHANYL]-BICYCLO-[3.1.1]-HEPTANE-2-CARBOXYLATE
SpectraBase Compound ID FoiJOIVCIWE
InChI InChI=1S/2C30H39BO2P/c2*1-29(2,3)33-28(32)27-24-18-21(30(24,4)5)19-26(27)34(31,22-14-7-6-8-15-22)25-17-11-13-20-12-9-10-16-23(20)25/h2*6-17,21,24,26-27,34H,18-19H2,1-5,31H3/t2*21-,24+,26+,27+/m11/s1
InChIKey ITQFMGFFWFAYJS-XDYHAMDLSA-N
Mol Weight 946.8 g/mol
Molecular Formula C60H78B2O4P2
Exact Mass 946.556145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMQWqysFrmN
Name TERT.-BUTYL-(1S,2R,3S)-6,6-DIMETHYL-3-[BORANATO-(1-NAPHTHYL)-PHENYL-PHOSPHANYL]-BICYCLO-[3.1.1]-HEPTANE-2-CARBOXYLATE
Compound Number 20*BH3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H76B2O4P2
InChI InChI=1S/2C30H39BO2P/c2*1-29(2,3)33-28(32)27-24-18-21(30(24,4)5)19-26(27)34(31,22-14-7-6-8-15-22)25-17-11-13-20-12-9-10-16-23(20)25/h2*6-17,21,24,26-27,34H,18-19H2,1-5,31H3/t2*21-,24+,26+,27+/m11/s1
InChIKey ITQFMGFFWFAYJS-XDYHAMDLSA-N
Literature Reference Author B.WIESE,G.KNUEHL,D.FLUBACHER,J.W.PRIESS,B.ULRIKSEN,K.BROEDNE R,G.HELMCHEN
Literature Reference Citation EUR.J.ORG.CHEM.,3246(2005)
Molecular Weight 944.829 g/mol
Sample ID 29931
Solvent CDCl3