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1,4-Bis[(1'-(4-methylbenzyl)-1',3'-dihydro-1'H-[3,3']biindolyl-2'-on)-1-yl]butane
SpectraBase Compound ID K7zegruSlQs
InChI InChI=1S/C52H46N4O2/c1-35-21-25-37(26-22-35)31-55-47-19-9-5-15-41(47)49(51(55)57)43-33-53(45-17-7-3-13-39(43)45)29-11-12-30-54-34-44(40-14-4-8-18-46(40)54)50-42-16-6-10-20-48(42)56(52(50)58)32-38-27-23-36(2)24-28-38/h3-10,13-28,33-34,49-50H,11-12,29-32H2,1-2H3
InChIKey WGPKWWRKRWFYJI-UHFFFAOYSA-N
Mol Weight 759.0 g/mol
Molecular Formula C52H46N4O2
Exact Mass 758.362077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt7D2HcXvUS
Name 1,4-Bis[(1'-(4-methylbenzyl)-1',3'-dihydro-1'H-[3,3']biindolyl-2'-on)-1-yl]butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H46N4O2
InChI InChI=1S/C52H46N4O2/c1-35-21-25-37(26-22-35)31-55-47-19-9-5-15-41(47)49(51(55)57)43-33-53(45-17-7-3-13-39(43)45)29-11-12-30-54-34-44(40-14-4-8-18-46(40)54)50-42-16-6-10-20-48(42)56(52(50)58)32-38-27-23-36(2)24-28-38/h3-10,13-28,33-34,49-50H,11-12,29-32H2,1-2H3
InChIKey WGPKWWRKRWFYJI-UHFFFAOYSA-N
Molecular Weight 758.966 g/mol
SMILES C1(N(c2c(C1c1c[n](CCCC[n]3cc(C4C(N(Cc5ccc(cc5)C)c5c4cccc5)=O)c4c3cccc4)c3c1cccc3)cccc2)Cc1ccc(cc1)C)=O
SPLASH splash10-0pwa-0892611400-9b91020ebe4bf0c1f2f4
Source of Spectrum F-68-1600-11h
Wiley ID 1707760