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(S)-2-(1H-Indol-3-yl)-1,4-diphenylbutane-1,4-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S)-2-(1H-Indol-3-yl)-1,4-diphenylbutane-1,4-dione
SpectraBase Compound ID K74LIT5IuCh
InChI InChI=1S/C24H19NO2/c26-23(17-9-3-1-4-10-17)15-20(24(27)18-11-5-2-6-12-18)21-16-25-22-14-8-7-13-19(21)22/h1-14,16,20,25H,15H2/t20-/m0/s1
InChIKey BTJXYUGONYNVME-FQEVSTJZSA-N
Mol Weight 353.42 g/mol
Molecular Formula C24H19NO2
Exact Mass 353.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzRyqhtQM6Z
Name (S)-2-(1H-Indol-3-yl)-1,4-diphenylbutane-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.141578854 u
Formula C24H19NO2
InChI InChI=1S/C24H19NO2/c26-23(17-9-3-1-4-10-17)15-20(24(27)18-11-5-2-6-12-18)21-16-25-22-14-8-7-13-19(21)22/h1-14,16,20,25H,15H2/t20-/m0/s1
InChIKey BTJXYUGONYNVME-FQEVSTJZSA-N
Molecular Weight 353.421 g/mol
SMILES C([C@@](CC(=O)C=1C=CC=CC1)(C1=CNC=2C=CC=CC12)[H])(=O)C=1C=CC=CC1