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N-{-[.alpha.-(propanoyl)methyl]-4'-methoxybenzyl}-3-chloroaniline

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

N-{-[.alpha.-(propanoyl)methyl]-4'-methoxybenzyl}-3-chloroaniline
SpectraBase Compound ID LEHqgNkphSt
InChI InChI=1S/C18H20ClNO2/c1-3-16(21)12-18(13-7-9-17(22-2)10-8-13)20-15-6-4-5-14(19)11-15/h4-11,18,20H,3,12H2,1-2H3
InChIKey LGLNVMANFNOEFW-UHFFFAOYSA-N
Mol Weight 317.82 g/mol
Molecular Formula C18H20ClNO2
Exact Mass 317.118257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzqbhGT1seO
Name N-{-[.alpha.-(propanoyl)methyl]-4'-methoxybenzyl}-3-chloroaniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.118256586 u
Formula C18H20ClNO2
InChI InChI=1S/C18H20ClNO2/c1-3-16(21)12-18(13-7-9-17(22-2)10-8-13)20-15-6-4-5-14(19)11-15/h4-11,18,20H,3,12H2,1-2H3
InChIKey LGLNVMANFNOEFW-UHFFFAOYSA-N
Molecular Weight 317.816 g/mol
SMILES C(NC=1C=C(Cl)C=CC1)(CC(=O)CC)C1=CC=C(C=C1)OC