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1-(3-Nitrophenyl)-3-[4-(4-pyridylmethyl)anilino]propan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(3-Nitrophenyl)-3-[4-(4-pyridylmethyl)anilino]propan-1-one
SpectraBase Compound ID 8RaGgGz4tPM
InChI InChI=1S/C21H19N3O3/c25-21(18-2-1-3-20(15-18)24(26)27)10-13-23-19-6-4-16(5-7-19)14-17-8-11-22-12-9-17/h1-9,11-12,15,23H,10,13-14H2
InChIKey DGHIOOFDQOASIH-UHFFFAOYSA-N
Mol Weight 361.4 g/mol
Molecular Formula C21H19N3O3
Exact Mass 361.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kj8cggpxaV0
Name 1-(3-Nitrophenyl)-3-[4-(4-pyridylmethyl)anilino]propan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.142641481 u
Formula C21H19N3O3
InChI InChI=1S/C21H19N3O3/c25-21(18-2-1-3-20(15-18)24(26)27)10-13-23-19-6-4-16(5-7-19)14-17-8-11-22-12-9-17/h1-9,11-12,15,23H,10,13-14H2
InChIKey DGHIOOFDQOASIH-UHFFFAOYSA-N
Molecular Weight 361.401 g/mol
SMILES C1=CN=CC=C1CC=1C=CC(NCCC(C=2C=C(N(=O)=O)C=CC2)=O)=CC1