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2-[2-(Benzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]propanoic acid

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2-[2-(Benzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]propanoic acid
SpectraBase Compound ID DydIlv3Wow1
InChI InChI=1S/C20H18N2O4S/c1-13(19(24)25)22-17(14-8-10-16(26-2)11-9-14)12-27-20(22)21-18(23)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25)/b21-20-
InChIKey PMKTVFDTNFYPHX-MRCUWXFGSA-N
Mol Weight 382.43 g/mol
Molecular Formula C20H18N2O4S
Exact Mass 382.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELU2yDA26eT
Name 2-[2-(Benzoylimino)-4-(4-methoxyphenyl)thiazol-3(2H)-yl]propanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 382.098728238 u
Formula C20H18N2O4S
InChI InChI=1S/C20H18N2O4S/c1-13(19(24)25)22-17(14-8-10-16(26-2)11-9-14)12-27-20(22)21-18(23)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25)/b21-20-
InChIKey PMKTVFDTNFYPHX-MRCUWXFGSA-N
Molecular Weight 382.434 g/mol
SMILES C(\N=C/1SC=C(N1C(C(=O)O)C)C1=CC=C(C=C1)OC)(C1=CC=CC=C1)=O