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AARUGJIWEFFZNK-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

AARUGJIWEFFZNK-UHFFFAOYSA-N
SpectraBase Compound ID EWpi7j63oiB
InChI InChI=1S/C63H51N3O3.BF4/c1-67-53-38-34-51(35-39-53)64-60(58(45-22-10-4-11-23-45)46-24-12-5-13-25-46)56-44-55(69-3)42-43-57(56)65-61(59(47-26-14-6-15-27-47)48-28-16-7-17-29-48)66(52-36-40-54(68-2)41-37-52)63(62(64)65,49-30-18-8-19-31-49)50-32-20-9-21-33-50;2-1(3,4)5/h4-44,62H,1-3H3;/q;-1
InChIKey AARUGJIWEFFZNK-UHFFFAOYSA-N
Mol Weight 984.9 g/mol
Molecular Formula C63H51BF4N3O3
Exact Mass 984.39596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gjR3CVrcsR
Name AARUGJIWEFFZNK-UHFFFAOYSA-N
CAS Registry Number 141344-77-6
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H51BF4N3O3
InChI InChI=1S/C63H51N3O3.BF4/c1-67-53-38-34-51(35-39-53)64-60(58(45-22-10-4-11-23-45)46-24-12-5-13-25-46)56-44-55(69-3)42-43-57(56)65-61(59(47-26-14-6-15-27-47)48-28-16-7-17-29-48)66(52-36-40-54(68-2)41-37-52)63(62(64)65,49-30-18-8-19-31-49)50-32-20-9-21-33-50;2-1(3,4)5/h4-44,62H,1-3H3;/q;-1
InChIKey AARUGJIWEFFZNK-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 984.920 g/mol
Solvent CDCl3
Source File Reference UWCS1908