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HKBKTBBOUJGGER-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

HKBKTBBOUJGGER-UHFFFAOYSA-M
SpectraBase Compound ID LpJZ6dnh2Tt
InChI InChI=1S/C64H40N8.C4H12N.BrH/c1-33-9-41-43-11-34(2)13-45(58(43)26-66)47-15-36(4)17-49(60(47)28-68)51-19-38(6)21-53(62(51)30-70)55-23-40(8)24-56(64(55)32-72)54-22-39(7)20-52(63(54)31-71)50-18-37(5)16-48(61(50)29-69)46-14-35(3)12-44(59(46)27-67)42(10-33)57(41)25-65;1-5(2,3)4;/h9-24H,1-8H3;1-4H3;1H/q;+1;/p-1
InChIKey HKBKTBBOUJGGER-UHFFFAOYSA-M
Mol Weight 1075.13 g/mol
Molecular Formula C68H52BrN9
Exact Mass 1073.352906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaUH43UHW0C
Name HKBKTBBOUJGGER-UHFFFAOYSA-M
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H52BrN9
InChI InChI=1S/C64H40N8.C4H12N.BrH/c1-33-9-41-43-11-34(2)13-45(58(43)26-66)47-15-36(4)17-49(60(47)28-68)51-19-38(6)21-53(62(51)30-70)55-23-40(8)24-56(64(55)32-72)54-22-39(7)20-52(63(54)31-71)50-18-37(5)16-48(61(50)29-69)46-14-35(3)12-44(59(46)27-67)42(10-33)57(41)25-65;1-5(2,3)4;/h9-24H,1-8H3;1-4H3;1H/q;+1;/p-1
InChIKey HKBKTBBOUJGGER-UHFFFAOYSA-M
Literature Reference Author K.PAEK,C.B.KNOBLER,E.F.MAVERICK,D.J.CRAM
Literature Reference Citation J.AM.CHEM.SOC.,111,8662(1989)
Literature Reference DOI 10.1021/ja00205a016
Molecular Weight 1075.125 g/mol
Solvent CDCl3;GUEST:HOST=.63:1
Source File Reference UWCS14757