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Methyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID yQmd7pr3D3
InChI InChI=1S/C19H16Cl2N2O4S/c1-8-10(3)28-18(13(8)19(25)26-4)22-17(24)14-9(2)27-23-16(14)15-11(20)6-5-7-12(15)21/h5-7H,1-4H3,(H,22,24)
InChIKey MSKJWMKXERGGJX-UHFFFAOYSA-N
Mol Weight 439.31 g/mol
Molecular Formula C19H16Cl2N2O4S
Exact Mass 438.020784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZoXWIgUaW
Name Methyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 438.020783573 u
Formula C19H16Cl2N2O4S
InChI InChI=1S/C19H16Cl2N2O4S/c1-8-10(3)28-18(13(8)19(25)26-4)22-17(24)14-9(2)27-23-16(14)15-11(20)6-5-7-12(15)21/h5-7H,1-4H3,(H,22,24)
InChIKey MSKJWMKXERGGJX-UHFFFAOYSA-N
Molecular Weight 439.313 g/mol
SMILES N(C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1Cl)=O)C1=C(C(C)=C(S1)C)C(=O)OC