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Methyl 3-{[(3,4-dichloroanilino)carbonyl]amino}-4-methylbenzoate
SpectraBase Compound ID 2ySnGSbveXR
InChI InChI=1S/C16H14Cl2N2O3/c1-9-3-4-10(15(21)23-2)7-14(9)20-16(22)19-11-5-6-12(17)13(18)8-11/h3-8H,1-2H3,(H2,19,20,22)
InChIKey FMMHSXXFNVBYMU-UHFFFAOYSA-N
Mol Weight 353.21 g/mol
Molecular Formula C16H14Cl2N2O3
Exact Mass 352.038148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87nWWt7kwGJ
Name Methyl 3-{[(3,4-dichloroanilino)carbonyl]amino}-4-methylbenzoate
Comments Computed using HOSE algorithm
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Exact Mass 352.038147716 u
Formula C16H14Cl2N2O3
InChI InChI=1S/C16H14Cl2N2O3/c1-9-3-4-10(15(21)23-2)7-14(9)20-16(22)19-11-5-6-12(17)13(18)8-11/h3-8H,1-2H3,(H2,19,20,22)
InChIKey FMMHSXXFNVBYMU-UHFFFAOYSA-N
Molecular Weight 353.205 g/mol
SMILES N(C=1C=C(C(=O)OC)C=CC1C)C(NC=1C=C(Cl)C(=CC1)Cl)=O