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Benzoic acid, 2-[3-(3-chloro-2-methylphenyl)ureido]-, methyl ester
SpectraBase Compound ID CqpMIK96DLs
InChI InChI=1S/C16H15ClN2O3/c1-10-12(17)7-5-9-13(10)18-16(21)19-14-8-4-3-6-11(14)15(20)22-2/h3-9H,1-2H3,(H2,18,19,21)
InChIKey AMHZAJWCOQZIIP-UHFFFAOYSA-N
Mol Weight 318.76 g/mol
Molecular Formula C16H15ClN2O3
Exact Mass 318.07712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6zlWou5SC6
Name Benzoic acid, 2-[3-(3-chloro-2-methylphenyl)ureido]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.077120048 u
Formula C16H15ClN2O3
InChI InChI=1S/C16H15ClN2O3/c1-10-12(17)7-5-9-13(10)18-16(21)19-14-8-4-3-6-11(14)15(20)22-2/h3-9H,1-2H3,(H2,18,19,21)
InChIKey AMHZAJWCOQZIIP-UHFFFAOYSA-N
Molecular Weight 318.760 g/mol
SMILES C(NC1=C(C(=O)OC)C=CC=C1)(NC1=C(C(Cl)=CC=C1)C)=O