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2-[(4-Chloroanilino)-(4-methoxyphenyl)methyl]-1-cyclohexanone

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

2-[(4-Chloroanilino)-(4-methoxyphenyl)methyl]-1-cyclohexanone
SpectraBase Compound ID 2EZPWk3QZaJ
InChI InChI=1S/C20H22ClNO2/c1-24-17-12-6-14(7-13-17)20(18-4-2-3-5-19(18)23)22-16-10-8-15(21)9-11-16/h6-13,18,20,22H,2-5H2,1H3
InChIKey VQLSMNVBMSPYDM-UHFFFAOYSA-N
Mol Weight 343.85 g/mol
Molecular Formula C20H22ClNO2
Exact Mass 343.133907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgX7C8xSeyT
Name 2-[(4-Chloroanilino)-(4-methoxyphenyl)methyl]-1-cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.133906650 u
Formula C20H22ClNO2
InChI InChI=1S/C20H22ClNO2/c1-24-17-12-6-14(7-13-17)20(18-4-2-3-5-19(18)23)22-16-10-8-15(21)9-11-16/h6-13,18,20,22H,2-5H2,1H3
InChIKey VQLSMNVBMSPYDM-UHFFFAOYSA-N
Molecular Weight 343.854 g/mol
SMILES C(C1C(=O)CCCC1)(NC1=CC=C(C=C1)Cl)C1=CC=C(C=C1)OC