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Benzoic acid, 2-[2-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetylamino]-, methyl ester
SpectraBase Compound ID 7xmqAkEbowN
InChI InChI=1S/C17H14N4O4S/c1-24-16(23)12-4-2-3-5-13(12)19-14(22)10-26-17-21-20-15(25-17)11-6-8-18-9-7-11/h2-9H,10H2,1H3,(H,19,22)
InChIKey WXQWGOAIJFGVGQ-UHFFFAOYSA-N
Mol Weight 370.38 g/mol
Molecular Formula C17H14N4O4S
Exact Mass 370.073576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75IvynQiL3t
Name Benzoic acid, 2-[2-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetylamino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.073576117 u
Formula C17H14N4O4S
InChI InChI=1S/C17H14N4O4S/c1-24-16(23)12-4-2-3-5-13(12)19-14(22)10-26-17-21-20-15(25-17)11-6-8-18-9-7-11/h2-9H,10H2,1H3,(H,19,22)
InChIKey WXQWGOAIJFGVGQ-UHFFFAOYSA-N
Molecular Weight 370.383 g/mol
SMILES C1=CC=C(C(=C1)NC(CSC=1OC(=NN1)C1=CC=NC=C1)=O)C(OC)=O