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1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-4'-nitroindole-3-acetanilide
SpectraBase Compound ID KzwUxKANTqY
InChI InChI=1S/C25H20ClN3O5/c1-15-21(14-24(30)27-18-7-9-19(10-8-18)29(32)33)22-13-20(34-2)11-12-23(22)28(15)25(31)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,27,30)
InChIKey KBNHAKDFILYORM-UHFFFAOYSA-N
Mol Weight 477.9 g/mol
Molecular Formula C25H20ClN3O5
Exact Mass 477.109148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4082uJb5cH
Name 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-4'-nitroindole-3-acetanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.109148451 u
Formula C25H20ClN3O5
InChI InChI=1S/C25H20ClN3O5/c1-15-21(14-24(30)27-18-7-9-19(10-8-18)29(32)33)22-13-20(34-2)11-12-23(22)28(15)25(31)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,27,30)
InChIKey KBNHAKDFILYORM-UHFFFAOYSA-N
Molecular Weight 477.904 g/mol
SMILES N(C(CC=1C=2C=C(C=CC2N(C1C)C(=O)C=1C=CC(=CC1)Cl)OC)=O)C1=CC=C(C=C1)N(=O)=O