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DIGFQFJUPIQGEO-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

DIGFQFJUPIQGEO-UHFFFAOYSA-N
SpectraBase Compound ID ArBEtqfckHb
InChI InChI=1S/C24H20B.C21H34N3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-6-8-12-22-14-15-23(13-9-7-5-2)17-20-24(19-16-22)18-10-11-21(24)3/h1-20H;1-2H,3,6-20H2/q-1;+1
InChIKey DIGFQFJUPIQGEO-UHFFFAOYSA-N
Mol Weight 647.8 g/mol
Molecular Formula C45H54BN3
Exact Mass 647.441079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18rmfTRsD3a
Name DIGFQFJUPIQGEO-UHFFFAOYSA-N
Compound Number 2*BPH4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H54BN3
InChI InChI=1S/C24H20B.C21H34N3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-6-8-12-22-14-15-23(13-9-7-5-2)17-20-24(19-16-22)18-10-11-21(24)3/h1-20H;1-2H,3,6-20H2/q-1;+1
InChIKey DIGFQFJUPIQGEO-UHFFFAOYSA-N
Literature Reference Author M.V.BAKER,D.H.BROWN,B.W.SKELTON,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,53,791(2000)
Literature Reference DOI 10.1071/CH00123
Molecular Weight 647.754 g/mol
Solvent ACETONE-D6
Source File Reference UWSI3027