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[( Cyclohexylcarbamoyl)-(p-chlorophenyl)methyl] 4"-Methoxybenzoate
SpectraBase Compound ID Bd7cb2ulCHs
InChI InChI=1S/C22H24ClNO4/c1-27-19-13-9-16(10-14-19)22(26)28-20(15-7-11-17(23)12-8-15)21(25)24-18-5-3-2-4-6-18/h7-14,18,20H,2-6H2,1H3,(H,24,25)
InChIKey BAQFYYYYWNFQDN-UHFFFAOYSA-N
Mol Weight 401.89 g/mol
Molecular Formula C22H24ClNO4
Exact Mass 401.139386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WSJYaMpSjC
Name [( Cyclohexylcarbamoyl)-(p-chlorophenyl)methyl] 4""""-methoxybenzoate
Comments Computed using HOSE algorithm
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Exact Mass 401.139385953 u
Formula C22H24ClNO4
InChI InChI=1S/C22H24ClNO4/c1-27-19-13-9-16(10-14-19)22(26)28-20(15-7-11-17(23)12-8-15)21(25)24-18-5-3-2-4-6-18/h7-14,18,20H,2-6H2,1H3,(H,24,25)
InChIKey BAQFYYYYWNFQDN-UHFFFAOYSA-N
Molecular Weight 401.890 g/mol
SMILES C(C(OC(C1=CC=C(C=C1)OC)=O)C1=CC=C(C=C1)Cl)(NC1CCCCC1)=O