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VXTSBJIPTUFLQF-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

VXTSBJIPTUFLQF-UHFFFAOYSA-M
SpectraBase Compound ID G0L7i7F632D
InChI InChI=1S/C64H40N8.C8H20N.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;1-5-9(6-2,7-3)8-4;/h9-24H,1-8H3;5-8H2,1-4H3;1H/q;+1;/p-1
InChIKey VXTSBJIPTUFLQF-UHFFFAOYSA-M
Mol Weight 1131.24 g/mol
Molecular Formula C72H60BrN9
Exact Mass 1129.415506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqkOcRGEsvY
Name VXTSBJIPTUFLQF-UHFFFAOYSA-M
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H60BrN9
InChI InChI=1S/C64H40N8.C8H20N.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;1-5-9(6-2,7-3)8-4;/h9-24H,1-8H3;5-8H2,1-4H3;1H/q;+1;/p-1
InChIKey VXTSBJIPTUFLQF-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 1131.233 g/mol
Solvent CDCl3;GUEST:HOST=3:1
Source File Reference UWCS14758