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N-[1-(8-NITROPYRENESULFONYL)]-L-ALANINE_ETHYLESTER;NPYR-ALA-O-ET
SpectraBase Compound ID DotWs2Ysapt
InChI InChI=1S/C21H18N2O6S/c1-3-29-21(24)12(2)22-30(27,28)18-11-7-14-5-4-13-6-10-17(23(25)26)15-8-9-16(18)20(14)19(13)15/h4-12,22H,3H2,1-2H3/t12-/m1/s1
InChIKey UBPHDVARNXYGAA-GFCCVEGCSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H18N2O6S
Exact Mass 426.088557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8gdYzMi9jK
Name N-[1-(8-NITROPYRENESULFONYL)]-L-ALANINE_ETHYLESTER;NPYR-ALA-O-ET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O6S
InChI InChI=1S/C21H18N2O6S/c1-3-29-21(24)12(2)22-30(27,28)18-11-7-14-5-4-13-6-10-17(23(25)26)15-8-9-16(18)20(14)19(13)15/h4-12,22H,3H2,1-2H3/t12-/m1/s1
InChIKey UBPHDVARNXYGAA-GFCCVEGCSA-N
Literature Reference Author G.JONES,L.N.LU
Literature Reference Citation J.ORG.CHEM.,63,8938(1998)
Literature Reference DOI 10.1021/jo981241g
Molecular Weight 426.444 g/mol
Sample ID 26654
Solvent CDCl3