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XBRPIPLATOWATH-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

XBRPIPLATOWATH-UHFFFAOYSA-N
SpectraBase Compound ID 78bv94rV0W0
InChI InChI=1S/C60H42Br3N3.BF4/c61-48-31-36-51(37-32-48)64-57(55(42-19-7-1-8-20-42)43-21-9-2-10-22-43)53-41-50(63)35-40-54(53)65-58(56(44-23-11-3-12-24-44)45-25-13-4-14-26-45)66(52-38-33-49(62)34-39-52)60(59(64)65,46-27-15-5-16-28-46)47-29-17-6-18-30-47;2-1(3,4)5/h1-41,59H;/q;-1
InChIKey XBRPIPLATOWATH-UHFFFAOYSA-N
Mol Weight 1131.5 g/mol
Molecular Formula C60H42BBr3F4N3
Exact Mass 1128.095805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8w2pTRBo1p9
Name XBRPIPLATOWATH-UHFFFAOYSA-N
CAS Registry Number 141344-79-8
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H42BBr3F4N3
InChI InChI=1S/C60H42Br3N3.BF4/c61-48-31-36-51(37-32-48)64-57(55(42-19-7-1-8-20-42)43-21-9-2-10-22-43)53-41-50(63)35-40-54(53)65-58(56(44-23-11-3-12-24-44)45-25-13-4-14-26-45)66(52-38-33-49(62)34-39-52)60(59(64)65,46-27-15-5-16-28-46)47-29-17-6-18-30-47;2-1(3,4)5/h1-41,59H;/q;-1
InChIKey XBRPIPLATOWATH-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 1131.529 g/mol
Solvent CDCl3
Source File Reference UWCS1909