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3-(Bis(1-butyl-1H-indol-3-yl)methyl)-2-butoxy-8-methylquinoline
SpectraBase Compound ID 9iu6SIHuIXL
InChI InChI=1S/C39H45N3O/c1-5-8-22-41-26-33(30-18-11-13-20-35(30)41)37(34-27-42(23-9-6-2)36-21-14-12-19-31(34)36)32-25-29-17-15-16-28(4)38(29)40-39(32)43-24-10-7-3/h11-21,25-27,37H,5-10,22-24H2,1-4H3
InChIKey AREAOWKVPBMSGD-UHFFFAOYSA-N
Mol Weight 571.8 g/mol
Molecular Formula C39H45N3O
Exact Mass 571.356263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUkDnmzWQMa
Name 3-(Bis(1-butyl-1H-indol-3-yl)methyl)-2-butoxy-8-methylquinoline
Appearance Light pink solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H45N3O
InChI InChI=1S/C39H45N3O/c1-5-8-22-41-26-33(30-18-11-13-20-35(30)41)37(34-27-42(23-9-6-2)36-21-14-12-19-31(34)36)32-25-29-17-15-16-28(4)38(29)40-39(32)43-24-10-7-3/h11-21,25-27,37H,5-10,22-24H2,1-4H3
InChIKey AREAOWKVPBMSGD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.60
Molecular Weight 571.809 g/mol
SMILES C(c1c[n](c2c1cccc2)CCCC)(c1c[n](c2c1cccc2)CCCC)c1c(nc2c(c1)cccc2C)OCCCC
SPLASH splash10-05fu-9001060000-d980d8f4960364ae25a2
Source of Spectrum BJO-15-SM1-8{5,5,2}
Thin-Layer Chromatography Rf = 0.90 (30% EtOAc in hexane)
Wiley ID 1841021