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ethyl 3-[(2,4-dichloroanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
SpectraBase Compound ID BvK4WJg8irN
InChI InChI=1S/C14H13Cl2N3O3/c1-3-22-14(21)12-7-11(18-19(12)2)13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,3H2,1-2H3,(H,17,20)
InChIKey GHRDPVFKOPKWCV-UHFFFAOYSA-N
Mol Weight 342.18 g/mol
Molecular Formula C14H13Cl2N3O3
Exact Mass 341.033397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHQ4pOolOu
Name Ethyl 3-[(2,4-dichloroanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 341.033396688 u
Formula C14H13Cl2N3O3
InChI InChI=1S/C14H13Cl2N3O3/c1-3-22-14(21)12-7-11(18-19(12)2)13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,3H2,1-2H3,(H,17,20)
InChIKey GHRDPVFKOPKWCV-UHFFFAOYSA-N
Molecular Weight 342.182 g/mol
SMILES N(C(C=1C=C(N(N1)C)C(=O)OCC)=O)C=1C(=CC(=CC1)Cl)Cl