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N-Carbobenzyloxy-o-toluenesulfonyl-allo-hydroxy-D-proline

View entire compound with spectra: 1 NMR

N-Carbobenzyloxy-o-toluenesulfonyl-allo-hydroxy-D-proline
SpectraBase Compound ID JRGS1mE0z26
InChI InChI=1S/C20H21NO7S/c1-14-7-9-17(10-8-14)29(25,26)28-16-11-18(19(22)23)21(12-16)20(24)27-13-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3,(H,22,23)/t16?,18-/m1/s1
InChIKey NQXAYQFTMRTBRY-UHUGOGIASA-N
Mol Weight 419.45 g/mol
Molecular Formula C20H21NO7S
Exact Mass 419.103873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6y2fUv7U4BY
Name N-Carbobenzyloxy-o-toluenesulfonyl-allo-hydroxy-D-proline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.103873187 u
Formula C20H21NO7S
InChI InChI=1S/C20H21NO7S/c1-14-7-9-17(10-8-14)29(25,26)28-16-11-18(19(22)23)21(12-16)20(24)27-13-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3,(H,22,23)/t16?,18-/m1/s1
InChIKey NQXAYQFTMRTBRY-UHUGOGIASA-N
Molecular Weight 419.448 g/mol
SMILES C1N([C@](CC1OS(=O)(=O)C1=CC=C(C)C=C1)(C(O)=O)[H])C(=O)OCC=1C=CC=CC1