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

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(S)-2-(1-Methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione
SpectraBase Compound ID v4i2CVTnL0
InChI InChI=1S/C25H21NO2/c1-26-17-22(20-14-8-9-15-23(20)26)21(25(28)19-12-6-3-7-13-19)16-24(27)18-10-4-2-5-11-18/h2-15,17,21H,16H2,1H3/t21-/m0/s1
InChIKey VJWAAFGUDCIHNQ-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 1fJUiPKPqEl
Name (S)-2-(1-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/c1-26-17-22(20-14-8-9-15-23(20)26)21(25(28)19-12-6-3-7-13-19)16-24(27)18-10-4-2-5-11-18/h2-15,17,21H,16H2,1H3/t21-/m0/s1
InChIKey VJWAAFGUDCIHNQ-NRFANRHFSA-N
Molecular Weight 367.448 g/mol
SMILES C([C@@](CC(=O)C=1C=CC=CC1)(C1=CN(C=2C=CC=CC12)C)[H])(=O)C=1C=CC=CC1