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4,6,8,15,17,19-Hexaphenyl-[2,2](5,8)benzo[f]isoindolophane-5,7,16,18(4H.17H)-tetraone
SpectraBase Compound ID 6rl48UA5UOB
InChI InChI=1S/C64H42N2O4/c67-61-57-53(39-19-7-1-8-20-39)49-43-31-32-44(50(49)54(40-21-9-2-10-22-40)58(57)62(68)65(61)47-27-15-5-16-28-47)37-38-46-34-33-45(36-35-43)51-52(46)56(42-25-13-4-14-26-42)60-59(55(51)41-23-11-3-12-24-41)63(69)66(64(60)70)48-29-17-6-18-30-48/h1-34H,35-38H2
InChIKey KIBIXHGHRZREOB-UHFFFAOYSA-N
Mol Weight 903.0 g/mol
Molecular Formula C64H42N2O4
Exact Mass 902.314458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMC0vdAGfal
Name 4,6,8,15,17,19-Hexaphenyl-[2,2](5,8)benzo[f]isoindolophane-5,7,16,18(4H.17H)-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H42N2O4
InChI InChI=1S/C64H42N2O4/c67-61-57-53(39-19-7-1-8-20-39)49-43-31-32-44(50(49)54(40-21-9-2-10-22-40)58(57)62(68)65(61)47-27-15-5-16-28-47)37-38-46-34-33-45(36-35-43)51-52(46)56(42-25-13-4-14-26-42)60-59(55(51)41-23-11-3-12-24-41)63(69)66(64(60)70)48-29-17-6-18-30-48/h1-34H,35-38H2
InChIKey KIBIXHGHRZREOB-UHFFFAOYSA-N
Molecular Weight 903.050 g/mol
SMILES C1(N(C(c2c(c3c4ccc(c3c(c12)-c1ccccc1)CCc1c2c(c3C(N(C(c3c(c2c(CC4)cc1)-c1ccccc1)=O)c1ccccc1)=O)-c1ccccc1)-c1ccccc1)=O)c1ccccc1)=O
SPLASH splash10-0udi-2401400119-3ae26734d55c14140559
Source of Spectrum KC-1-759-4
Wiley ID 1577677