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N-(2-Methyl-4-chlorophenyl)-4-hexanamidobenzamide

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N-(2-Methyl-4-chlorophenyl)-4-hexanamidobenzamide
SpectraBase Compound ID 1A1qVJDy9qZ
InChI InChI=1S/C20H23ClN2O2/c1-3-4-5-6-19(24)22-17-10-7-15(8-11-17)20(25)23-18-12-9-16(21)13-14(18)2/h7-13H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKey JGCPHMVMWCBRSR-UHFFFAOYSA-N
Mol Weight 358.87 g/mol
Molecular Formula C20H23ClN2O2
Exact Mass 358.144806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ad7lQZHWBC
Name N-(2-Methyl-4-chlorophenyl)-4-hexanamidobenzamide
Comments Computed using HOSE algorithm
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Exact Mass 358.144805687 u
Formula C20H23ClN2O2
InChI InChI=1S/C20H23ClN2O2/c1-3-4-5-6-19(24)22-17-10-7-15(8-11-17)20(25)23-18-12-9-16(21)13-14(18)2/h7-13H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKey JGCPHMVMWCBRSR-UHFFFAOYSA-N
Molecular Weight 358.869 g/mol
SMILES N(C(CCCCC)=O)c1ccc(C(=O)Nc2c(cc(cc2)Cl)C)cc1