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3-Bromanyl-N-[(Z)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]benzamide
SpectraBase Compound ID Fpq5FVCk6dy
InChI InChI=1S/C27H24BrN3O2/c1-18-22(23-12-5-6-13-24(23)30-18)14-15-29-27(33)25(16-19-8-3-2-4-9-19)31-26(32)20-10-7-11-21(28)17-20/h2-13,16-17,30H,14-15H2,1H3,(H,29,33)(H,31,32)/b25-16-
InChIKey ASGNCWOMXZKUJQ-XYGWBWBKSA-N
Mol Weight 502.41 g/mol
Molecular Formula C27H24BrN3O2
Exact Mass 501.10519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDOfDFwvkdX
Name 3-Bromanyl-N-[(Z)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.105190023 u
Formula C27H24BrN3O2
InChI InChI=1S/C27H24BrN3O2/c1-18-22(23-12-5-6-13-24(23)30-18)14-15-29-27(33)25(16-19-8-3-2-4-9-19)31-26(32)20-10-7-11-21(28)17-20/h2-13,16-17,30H,14-15H2,1H3,(H,29,33)(H,31,32)/b25-16-
InChIKey ASGNCWOMXZKUJQ-XYGWBWBKSA-N
Molecular Weight 502.412 g/mol
SMILES C=1C=CC(\C=C\(C(NCCC2=C(NC3=C2C=CC=C3)C)=O)NC(C2=CC(Br)=CC=C2)=O)=CC1