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N-p-Toluenesulfonyl-L-threonine, benzyl ester

View entire compound with spectra: 1 NMR

N-p-Toluenesulfonyl-L-threonine, benzyl ester
SpectraBase Compound ID 3H16Zew9lAR
InChI InChI=1S/C18H21NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-17(14(2)20)18(21)24-12-15-6-4-3-5-7-15/h3-11,14,17,19-20H,12H2,1-2H3/t14-,17+/m1/s1
InChIKey ARTBRWILFUIMST-PBHICJAKSA-N
Mol Weight 363.43 g/mol
Molecular Formula C18H21NO5S
Exact Mass 363.114044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 938lqRyLk8C
Name N-p-Toluenesulfonyl-L-threonine, benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.114043949 u
Formula C18H21NO5S
InChI InChI=1S/C18H21NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-17(14(2)20)18(21)24-12-15-6-4-3-5-7-15/h3-11,14,17,19-20H,12H2,1-2H3/t14-,17+/m1/s1
InChIKey ARTBRWILFUIMST-PBHICJAKSA-N
Molecular Weight 363.428 g/mol
SMILES [C@](O)(C)([C@@](C(=O)OCC1=CC=CC=C1)(NS(=O)(=O)C1=CC=C(C=C1)C)[H])[H]