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2-{[2-(4-Methoxyphenyl)ethyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid
SpectraBase Compound ID 1iaxA3jo15Z
InChI InChI=1S/C14H16N2O3S/c1-9-12(13(17)18)20-14(16-9)15-8-7-10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKey ATNXVHIKQSOKTC-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dk6ohYIo7W
Name 2-{[2-(4-Methoxyphenyl)ethyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 292.088163554 u
Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-9-12(13(17)18)20-14(16-9)15-8-7-10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKey ATNXVHIKQSOKTC-UHFFFAOYSA-N
Molecular Weight 292.353 g/mol
SMILES C(NC=1SC(=C(C)N1)C(O)=O)CC1=CC=C(C=C1)OC