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QGEVSJOKZCUFPV-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

QGEVSJOKZCUFPV-UHFFFAOYSA-N
SpectraBase Compound ID 5rzp5TCJ4Zy
InChI InChI=1S/C60H45N3.BF4/c1-9-27-45(28-10-1)55(46-29-11-2-12-30-46)57-53-43-25-26-44-54(53)62-58(56(47-31-13-3-14-32-47)48-33-15-4-16-34-48)63(52-41-23-8-24-42-52)60(49-35-17-5-18-36-49,50-37-19-6-20-38-50)59(62)61(57)51-39-21-7-22-40-51;2-1(3,4)5/h1-44,59H;/q;-1
InChIKey QGEVSJOKZCUFPV-UHFFFAOYSA-N
Mol Weight 894.8 g/mol
Molecular Formula C60H45BF4N3
Exact Mass 894.364266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGlE3weJzpF
Name QGEVSJOKZCUFPV-UHFFFAOYSA-N
CAS Registry Number 141344-81-2
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H45BF4N3
InChI InChI=1S/C60H45N3.BF4/c1-9-27-45(28-10-1)55(46-29-11-2-12-30-46)57-53-43-25-26-44-54(53)62-58(56(47-31-13-3-14-32-47)48-33-15-4-16-34-48)63(52-41-23-8-24-42-52)60(49-35-17-5-18-36-49,50-37-19-6-20-38-50)59(62)61(57)51-39-21-7-22-40-51;2-1(3,4)5/h1-44,59H;/q;-1
InChIKey QGEVSJOKZCUFPV-UHFFFAOYSA-N
Literature Reference Author J.Y.BECKER,E.SHAKKOUR,J.A.P.R.SARMA
Literature Reference Citation J.ORG.CHEM.,57,3716(1992)
Literature Reference DOI 10.1021/jo00039a038
Molecular Weight 894.841 g/mol
Solvent CDCl3
Source File Reference UWCS1906