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NYJRLKXSFLENFP-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

NYJRLKXSFLENFP-UHFFFAOYSA-N
SpectraBase Compound ID 83QMEyFXHwS
InChI InChI=1S/C63H51N3.BF4/c1-45-34-39-54(40-35-45)64-60(58(48-22-10-4-11-23-48)49-24-12-5-13-25-49)56-44-47(3)38-43-57(56)65-61(59(50-26-14-6-15-27-50)51-28-16-7-17-29-51)66(55-41-36-46(2)37-42-55)63(62(64)65,52-30-18-8-19-31-52)53-32-20-9-21-33-53;2-1(3,4)5/h4-44,62H,1-3H3;/q;-1
InChIKey NYJRLKXSFLENFP-UHFFFAOYSA-N
Mol Weight 936.9 g/mol
Molecular Formula C63H51BF4N3
Exact Mass 936.411216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cYrAeSNvr4
Name NYJRLKXSFLENFP-UHFFFAOYSA-N
CAS Registry Number 141344-83-4
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H51BF4N3
InChI InChI=1S/C63H51N3.BF4/c1-45-34-39-54(40-35-45)64-60(58(48-22-10-4-11-23-48)49-24-12-5-13-25-49)56-44-47(3)38-43-57(56)65-61(59(50-26-14-6-15-27-50)51-28-16-7-17-29-51)66(55-41-36-46(2)37-42-55)63(62(64)65,52-30-18-8-19-31-52)53-32-20-9-21-33-53;2-1(3,4)5/h4-44,62H,1-3H3;/q;-1
InChIKey NYJRLKXSFLENFP-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 936.922 g/mol
Solvent CDCl3
Source File Reference UWCS1907