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(E)-1,5-dimethyl-4-(((1-(4-methylbenzoyl)-1H-indol-3-yl)methylene)amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID CSAwi8RXTeW
InChI InChI=1S/C28H24N4O2/c1-19-13-15-21(16-14-19)27(33)31-18-22(24-11-7-8-12-25(24)31)17-29-26-20(2)30(3)32(28(26)34)23-9-5-4-6-10-23/h4-18H,1-3H3/b29-17+
InChIKey VYCWJDLADUPZMK-STBIYBPSSA-N
Mol Weight 448.53 g/mol
Molecular Formula C28H24N4O2
Exact Mass 448.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yp40wVw2zb
Name (E)-1,5-Dimethyl-4-(((1-(4-methylbenzoyl)-1H-indol-3-yl)methylene)amino)-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 448.189926027 u
Formula C28H24N4O2
InChI InChI=1S/C28H24N4O2/c1-19-13-15-21(16-14-19)27(33)31-18-22(24-11-7-8-12-25(24)31)17-29-26-20(2)30(3)32(28(26)34)23-9-5-4-6-10-23/h4-18H,1-3H3/b29-17+
InChIKey VYCWJDLADUPZMK-STBIYBPSSA-N
Molecular Weight 448.526 g/mol
SMILES C1=CC=C2C(=C1)C(=CN2C(C1=CC=C(C=C1)C)=O)\C=N\C1=C(N(N(C1=O)C1=CC=CC=C1)C)C