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4'-Bromo-1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetanilide

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4'-Bromo-1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetanilide
SpectraBase Compound ID J02kXwJlErD
InChI InChI=1S/C25H20BrClN2O3/c1-15-21(14-24(30)28-19-9-5-17(26)6-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-7-18(27)8-4-16/h3-13H,14H2,1-2H3,(H,28,30)
InChIKey LJHGTVRXHRNHGR-UHFFFAOYSA-N
Mol Weight 511.8 g/mol
Molecular Formula C25H20BrClN2O3
Exact Mass 510.034583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FoCOsNdGmV
Name 4'-Bromo-1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.034583209 u
Formula C25H20BrClN2O3
InChI InChI=1S/C25H20BrClN2O3/c1-15-21(14-24(30)28-19-9-5-17(26)6-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-7-18(27)8-4-16/h3-13H,14H2,1-2H3,(H,28,30)
InChIKey LJHGTVRXHRNHGR-UHFFFAOYSA-N
Molecular Weight 511.803 g/mol
SMILES N(C(CC1=C(N(C=2C=CC(=CC12)OC)C(=O)C=1C=CC(=CC1)Cl)C)=O)C=1C=CC(=CC1)Br