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3-(Bis(1-benzyl-1H-indol-3-yl)methyl)-2-butoxyquinoline
SpectraBase Compound ID ADT7HbI5Whj
InChI InChI=1S/C44H39N3O/c1-2-3-26-48-44-37(27-34-20-10-13-23-40(34)45-44)43(38-30-46(28-32-16-6-4-7-17-32)41-24-14-11-21-35(38)41)39-31-47(29-33-18-8-5-9-19-33)42-25-15-12-22-36(39)42/h4-25,27,30-31,43H,2-3,26,28-29H2,1H3
InChIKey WXDJARDSZNDZFU-UHFFFAOYSA-N
Mol Weight 625.8 g/mol
Molecular Formula C44H39N3O
Exact Mass 625.309313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ibHILIqLsh
Name 3-(Bis(1-benzyl-1H-indol-3-yl)methyl)-2-butoxyquinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H39N3O
InChI InChI=1S/C44H39N3O/c1-2-3-26-48-44-37(27-34-20-10-13-23-40(34)45-44)43(38-30-46(28-32-16-6-4-7-17-32)41-24-14-11-21-35(38)41)39-31-47(29-33-18-8-5-9-19-33)42-25-15-12-22-36(39)42/h4-25,27,30-31,43H,2-3,26,28-29H2,1H3
InChIKey WXDJARDSZNDZFU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.60
Molecular Weight 625.816 g/mol
SMILES c1(C[n]2c3ccccc3c(C(c3cc4ccccc4nc3OCCCC)c3c[n](Cc4ccccc4)c4c3cccc4)c2)ccccc1
SPLASH splash10-005c-5000159000-dbd7fc3b14addd8dda69
Source of Spectrum BJO-15-SM3-8{6,6,4}
Thin-Layer Chromatography Rf = 0.80 (30% EtOAc in hexane)
Wiley ID 1841023