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N-4-TOLUENESULFONYL-N-2-NITROBENZYL-L-ALANINE

View entire compound with spectra: 1 NMR

N-4-TOLUENESULFONYL-N-2-NITROBENZYL-L-ALANINE
SpectraBase Compound ID GbjFguJnC2r
InChI InChI=1S/C17H18N2O6S/c1-12-7-9-15(10-8-12)26(24,25)18(13(2)17(20)21)11-14-5-3-4-6-16(14)19(22)23/h3-10,13H,11H2,1-2H3,(H,20,21)
InChIKey VKGMMQFKAZASMY-UHFFFAOYSA-N
Mol Weight 378.4 g/mol
Molecular Formula C17H18N2O6S
Exact Mass 378.088557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TNydBmYtM1
Name N-4-TOLUENESULFONYL-N-2-NITROBENZYL-L-ALANINE
Compound Number A-13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2O6S
InChI InChI=1S/C17H18N2O6S/c1-12-7-9-15(10-8-12)26(24,25)18(13(2)17(20)21)11-14-5-3-4-6-16(14)19(22)23/h3-10,13H,11H2,1-2H3,(H,20,21)
InChIKey VKGMMQFKAZASMY-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 378.400 g/mol
Sample ID 44600
Solvent DMSO-D6