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3-(Bis(1-methyl-1H-indol-3-yl)methyl)-4H-chromen-4-one
SpectraBase Compound ID IBQcjJ3cz1u
InChI InChI=1S/C28H22N2O2/c1-29-15-21(18-9-3-6-12-24(18)29)27(22-16-30(2)25-13-7-4-10-19(22)25)23-17-32-26-14-8-5-11-20(26)28(23)31/h3-17,27H,1-2H3
InChIKey GDWYSSQMQHQGCU-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C28H22N2O2
Exact Mass 418.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3rCAhUcFvc
Name 3-(Bis(1-methyl-1H-indol-3-yl)methyl)-4H-chromen-4-one
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N2O2
InChI InChI=1S/C28H22N2O2/c1-29-15-21(18-9-3-6-12-24(18)29)27(22-16-30(2)25-13-7-4-10-19(22)25)23-17-32-26-14-8-5-11-20(26)28(23)31/h3-17,27H,1-2H3
InChIKey GDWYSSQMQHQGCU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.60
Molecular Weight 418.496 g/mol
Reported Formula C28H22N2O2
SMILES c12c(c(c[n]2C)C(c2c3ccccc3[n](C)c2)C2=COc3c(C2=O)cccc3)cccc1
SPLASH splash10-014i-3030900000-70705218133333f1896a
Source of Spectrum BJO-15-SM4-8{4,4,8}
Thin-Layer Chromatography Rf = 0.60 (30% EtOAc in hexane)
Wiley ID 1841019