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N-4-TOLUENESULFONYL-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE
SpectraBase Compound ID II30zzP37FS
InChI InChI=1S/C17H19N3O6S/c1-12-7-9-15(10-8-12)27(25,26)19(13(2)17(21)18-22)11-14-5-3-4-6-16(14)20(23)24/h3-10,13,22H,11H2,1-2H3,(H,18,21)
InChIKey CFAGBSYSXHJKPL-UHFFFAOYSA-N
Mol Weight 393.41 g/mol
Molecular Formula C17H19N3O6S
Exact Mass 393.099457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvMceCnMdBd
Name N-4-TOLUENESULFONYL-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE
Compound Number B-13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N3O6S
InChI InChI=1S/C17H19N3O6S/c1-12-7-9-15(10-8-12)27(25,26)19(13(2)17(21)18-22)11-14-5-3-4-6-16(14)20(23)24/h3-10,13,22H,11H2,1-2H3,(H,18,21)
InChIKey CFAGBSYSXHJKPL-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 392.406 g/mol
Sample ID 44601
Solvent DMSO-D6