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o,N-bis(p-Toluenesulfonyl)tyrosine

View entire compound with spectra: 1 NMR

o,N-bis(p-Toluenesulfonyl)tyrosine
SpectraBase Compound ID 4tc6RS7RN4Z
InChI InChI=1S/C23H23NO7S2/c1-16-3-11-20(12-4-16)32(27,28)24-22(23(25)26)15-18-7-9-19(10-8-18)31-33(29,30)21-13-5-17(2)6-14-21/h3-14,22,24H,15H2,1-2H3,(H,25,26)
InChIKey ZOVOOOBCFIWCAP-UHFFFAOYSA-N
Mol Weight 489.56 g/mol
Molecular Formula C23H23NO7S2
Exact Mass 489.091594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GplbOMI88jP
Name o,N-bis(p-Toluenesulfonyl)tyrosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.091594426 u
Formula C23H23NO7S2
InChI InChI=1S/C23H23NO7S2/c1-16-3-11-20(12-4-16)32(27,28)24-22(23(25)26)15-18-7-9-19(10-8-18)31-33(29,30)21-13-5-17(2)6-14-21/h3-14,22,24H,15H2,1-2H3,(H,25,26)
InChIKey ZOVOOOBCFIWCAP-UHFFFAOYSA-N
Molecular Weight 489.557 g/mol
SMILES C1=C(C=CC(=C1)OS(=O)(=O)C1=CC=C(C=C1)C)CC(C(O)=O)NS(=O)(=O)C1=CC=C(C=C1)C