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(E)-4-(((1-benzyl-1H-indol-3-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID LuLfBF46UGu
InChI InChI=1S/C27H24N4O/c1-20-26(27(32)31(29(20)2)23-13-7-4-8-14-23)28-17-22-19-30(18-21-11-5-3-6-12-21)25-16-10-9-15-24(22)25/h3-17,19H,18H2,1-2H3/b28-17+
InChIKey VKBRVOQNTMKLML-OGLMXYFKSA-N
Mol Weight 420.52 g/mol
Molecular Formula C27H24N4O
Exact Mass 420.195011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kh5HwS7dswQ
Name (E)-4-(((1-benzyl-1H-indol-3-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.195011408 u
Formula C27H24N4O
InChI InChI=1S/C27H24N4O/c1-20-26(27(32)31(29(20)2)23-13-7-4-8-14-23)28-17-22-19-30(18-21-11-5-3-6-12-21)25-16-10-9-15-24(22)25/h3-17,19H,18H2,1-2H3/b28-17+
InChIKey VKBRVOQNTMKLML-OGLMXYFKSA-N
Molecular Weight 420.516 g/mol
SMILES C1=CC=C2C(=C1)C(=CN2CC1=CC=CC=C1)\C=N\C1=C(N(N(C1=O)C1=CC=CC=C1)C)C