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1,3-Bis[((1'-benzyl-1',3'-dihydro-1'H-[3,3']biindolyl-2'-on)-1-yl)methyl]benzene
SpectraBase Compound ID JNDTTjLQnO5
InChI InChI=1S/C54H42N4O2/c59-53-51(43-24-9-13-28-49(43)57(53)33-37-16-3-1-4-17-37)45-35-55(47-26-11-7-22-41(45)47)31-39-20-15-21-40(30-39)32-56-36-46(42-23-8-12-27-48(42)56)52-44-25-10-14-29-50(44)58(54(52)60)34-38-18-5-2-6-19-38/h1-30,35-36,51-52H,31-34H2
InChIKey ITNCWHPIBPISHZ-UHFFFAOYSA-N
Mol Weight 779.0 g/mol
Molecular Formula C54H42N4O2
Exact Mass 778.330777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30iVv99z7KE
Name 1,3-Bis[((1'-benzyl-1',3'-dihydro-1'H-[3,3']biindolyl-2'-on)-1-yl)methyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H42N4O2
InChI InChI=1S/C54H42N4O2/c59-53-51(43-24-9-13-28-49(43)57(53)33-37-16-3-1-4-17-37)45-35-55(47-26-11-7-22-41(45)47)31-39-20-15-21-40(30-39)32-56-36-46(42-23-8-12-27-48(42)56)52-44-25-10-14-29-50(44)58(54(52)60)34-38-18-5-2-6-19-38/h1-30,35-36,51-52H,31-34H2
InChIKey ITNCWHPIBPISHZ-UHFFFAOYSA-N
Molecular Weight 778.956 g/mol
SMILES C1(N(c2c(C1c1c[n](Cc3cc(C[n]4cc(C5C(N(Cc6ccccc6)c6c5cccc6)=O)c5c4cccc5)ccc3)c3c1cccc3)cccc2)Cc1ccccc1)=O
SPLASH splash10-000m-4298000000-4d9f621ac45772230c55
Source of Spectrum F-68-1602-12g
Wiley ID 1707759