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2-Butoxy-3-(di(1H-indol-3-yl)methyl)-8-methylquinoline
SpectraBase Compound ID FHMD93Hz1er
InChI InChI=1S/C31H29N3O/c1-3-4-16-35-31-24(17-21-11-9-10-20(2)30(21)34-31)29(25-18-32-27-14-7-5-12-22(25)27)26-19-33-28-15-8-6-13-23(26)28/h5-15,17-19,29,32-33H,3-4,16H2,1-2H3
InChIKey CNNJXXXNOOVCEJ-UHFFFAOYSA-N
Mol Weight 459.59 g/mol
Molecular Formula C31H29N3O
Exact Mass 459.231063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ynR27Bstwq
Name 2-Butoxy-3-(di(1H-indol-3-yl)methyl)-8-methylquinoline
Appearance Pink solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29N3O
InChI InChI=1S/C31H29N3O/c1-3-4-16-35-31-24(17-21-11-9-10-20(2)30(21)34-31)29(25-18-32-27-14-7-5-12-22(25)27)26-19-33-28-15-8-6-13-23(26)28/h5-15,17-19,29,32-33H,3-4,16H2,1-2H3
InChIKey CNNJXXXNOOVCEJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.60
Molecular Weight 459.593 g/mol
Reported Formula C31H29N3O
SMILES [nH]1cc(C(c2c3c(cccc3)[nH]c2)c2cc3cccc(c3nc2OCCCC)C)c2c1cccc2
SPLASH splash10-052f-9020600000-d29187f05f7b4b2a6fe8
Source of Spectrum BJO-15-SM1-8{1,1,2}
Thin-Layer Chromatography Rf = 0.60 (30% EtOAc in hexane)
Wiley ID 1841015