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1,1,4,4-Tetrakis(1H-Indol-3-yl)Cyclohexane
SpectraBase Compound ID 1DwHB1gBOqX
InChI InChI=1S/C38H32N4/c1-5-13-33-25(9-1)29(21-39-33)37(30-22-40-34-14-6-2-10-26(30)34)17-19-38(20-18-37,31-23-41-35-15-7-3-11-27(31)35)32-24-42-36-16-8-4-12-28(32)36/h1-16,21-24,39-42H,17-20H2
InChIKey YYOGZQMZKCLFDN-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C38H32N4
Exact Mass 544.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YAK1ilhE1G
Name 1,1,4,4-Tetrakis(1H-Indol-3-yl)Cyclohexane
Appearance Light green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H32N4
InChI InChI=1S/C38H32N4/c1-5-13-33-25(9-1)29(21-39-33)37(30-22-40-34-14-6-2-10-26(30)34)17-19-38(20-18-37,31-23-41-35-15-7-3-11-27(31)35)32-24-42-36-16-8-4-12-28(32)36/h1-16,21-24,39-42H,17-20H2
InChIKey YYOGZQMZKCLFDN-UHFFFAOYSA-N
Instrument Name Intel 402
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2402
Molecular Weight 544.702 g/mol
SMILES [nH]1cc(C2(CCC(c3c[nH]c4c3cccc4)(CC2)c2c3c([nH]c2)cccc3)c2c[nH]c3c2cccc3)c2c1cccc2
SPLASH splash10-05ow-2439430000-f2832412ae6124d07c0c
Source of Spectrum Y-53-194-8a
Wiley ID 1877597