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Methyl 2-(isonicotinoylamino)-4-(4-methylphenyl)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 2-(isonicotinoylamino)-4-(4-methylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID AxH6Xp4dTtP
InChI InChI=1S/C19H16N2O3S/c1-12-3-5-13(6-4-12)15-11-25-18(16(15)19(23)24-2)21-17(22)14-7-9-20-10-8-14/h3-11H,1-2H3,(H,21,22)
InChIKey KDFYWHDTYVZEGR-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C19H16N2O3S
Exact Mass 352.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfBPQwuvqgs
Name Methyl 2-(isonicotinoylamino)-4-(4-methylphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 352.088163554 u
Formula C19H16N2O3S
InChI InChI=1S/C19H16N2O3S/c1-12-3-5-13(6-4-12)15-11-25-18(16(15)19(23)24-2)21-17(22)14-7-9-20-10-8-14/h3-11H,1-2H3,(H,21,22)
InChIKey KDFYWHDTYVZEGR-UHFFFAOYSA-N
Molecular Weight 352.408 g/mol
SMILES N(C1=C(C(=CS1)C1=CC=C(C=C1)C)C(=O)OC)C(=O)C=1C=CN=CC1