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5-[6-(4-AMINOBENZENESULFONYLAMINO)-PYRIDIN-3-YL]-2-METHYL-PENTANOIC-ACID
SpectraBase Compound ID 9HgHTBZOXvj
InChI InChI=1S/C17H21N3O4S/c1-12(17(21)22)3-2-4-13-5-10-16(19-11-13)20-25(23,24)15-8-6-14(18)7-9-15/h5-12H,2-4,18H2,1H3,(H,19,20)(H,21,22)
InChIKey ZXHWCOHIVVHOMK-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C17H21N3O4S
Exact Mass 363.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OtczMcH8QG
Name 5-[6-(4-AMINOBENZENESULFONYLAMINO)-PYRIDIN-3-YL]-2-METHYL-PENTANOIC-ACID
Compound Number SA1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N3O4S
InChI InChI=1S/C17H21N3O4S/c1-12(17(21)22)3-2-4-13-5-10-16(19-11-13)20-25(23,24)15-8-6-14(18)7-9-15/h5-12H,2-4,18H2,1H3,(H,19,20)(H,21,22)
InChIKey ZXHWCOHIVVHOMK-UHFFFAOYSA-N
Literature Reference Author J.ADRIAN,H.FONT,J.M.DISERENS,F.SANCHEZ-BAEZA,M.P.MARCO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,385(2009)
Literature Reference DOI 10.1021/jf8027655
Molecular Weight 363.431 g/mol
Sample ID 67913
Solvent CD3OD