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N-4-NITROPHENYLSULFENYL-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE
SpectraBase Compound ID EJjxOcIyOVq
InChI InChI=1S/C16H16N4O6S/c1-11(16(21)17-22)18(10-12-4-2-3-5-15(12)20(25)26)27-14-8-6-13(7-9-14)19(23)24/h2-9,11,22H,10H2,1H3,(H,17,21)
InChIKey YGNBXMMBEIMICG-UHFFFAOYSA-N
Mol Weight 392.39 g/mol
Molecular Formula C16H16N4O6S
Exact Mass 392.079055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5II7mPEChKT
Name N-4-NITROPHENYLSULFENYL-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE
Compound Number H-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N4O6S
InChI InChI=1S/C16H16N4O6S/c1-11(16(21)17-22)18(10-12-4-2-3-5-15(12)20(25)26)27-14-8-6-13(7-9-14)19(23)24/h2-9,11,22H,10H2,1H3,(H,17,21)
InChIKey YGNBXMMBEIMICG-UHFFFAOYSA-N
Literature Reference Author B.W.CLARE,A.SCOZZAFAVA,C.T.SUPURAN
Literature Reference Citation J.MED.CHEM.,44,2253(2001)
Literature Reference DOI 10.1021/jm010087e
Molecular Weight 391.378 g/mol
Sample ID 44607
Solvent DMSO-D6