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(S)-2-(5-Methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione

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(S)-2-(5-Methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione
SpectraBase Compound ID 6hbjS6S1ZkM
InChI InChI=1S/C25H21NO2/c1-17-12-13-23-20(14-17)22(16-26-23)21(25(28)19-10-6-3-7-11-19)15-24(27)18-8-4-2-5-9-18/h2-14,16,21,26H,15H2,1H3/t21-/m0/s1
InChIKey BGMBLYYJXNZCGL-NRFANRHFSA-N
Mol Weight 367.45 g/mol
Molecular Formula C25H21NO2
Exact Mass 367.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Xa3nasnpT1
Name (S)-2-(5-Methyl-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 367.157228918 u
Formula C25H21NO2
InChI InChI=1S/C25H21NO2/c1-17-12-13-23-20(14-17)22(16-26-23)21(25(28)19-10-6-3-7-11-19)15-24(27)18-8-4-2-5-9-18/h2-14,16,21,26H,15H2,1H3/t21-/m0/s1
InChIKey BGMBLYYJXNZCGL-NRFANRHFSA-N
Molecular Weight 367.448 g/mol
SMILES C([C@@](CC(=O)C=1C=CC=CC1)(C1=CNC=2C=CC(=CC12)C)[H])(=O)C=1C=CC=CC1