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N-(1-PYRENESULFONYL)-L-ALANINE_ETHYLESTER;PYR-ALA-O-ET
SpectraBase Compound ID 8tN3qT1kioq
InChI InChI=1S/C21H19NO4S/c1-3-26-21(23)13(2)22-27(24,25)18-12-10-16-8-7-14-5-4-6-15-9-11-17(18)20(16)19(14)15/h4-13,22H,3H2,1-2H3/t13-/m1/s1
InChIKey XELXFUCQWREWPZ-CYBMUJFWSA-N
Mol Weight 381.45 g/mol
Molecular Formula C21H19NO4S
Exact Mass 381.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H18J7OD4gmL
Name N-(1-PYRENESULFONYL)-L-ALANINE_ETHYLESTER;PYR-ALA-O-ET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19NO4S
InChI InChI=1S/C21H19NO4S/c1-3-26-21(23)13(2)22-27(24,25)18-12-10-16-8-7-14-5-4-6-15-9-11-17(18)20(16)19(14)15/h4-13,22H,3H2,1-2H3/t13-/m1/s1
InChIKey XELXFUCQWREWPZ-CYBMUJFWSA-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 381.446 g/mol
Sample ID 26653
Solvent CDCl3