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N-Acetyl-o-p-toluenesulfonyl-L-hydroxyproline

View entire compound with spectra: 1 NMR

N-Acetyl-o-p-toluenesulfonyl-L-hydroxyproline
SpectraBase Compound ID GMJmiTgWDP0
InChI InChI=1S/C14H17NO6S/c1-9-3-5-12(6-4-9)22(19,20)21-11-7-13(14(17)18)15(8-11)10(2)16/h3-6,11,13H,7-8H2,1-2H3,(H,17,18)/t11?,13-/m0/s1
InChIKey ZGILGOQVJWEWSV-YUZLPWPTSA-N
Mol Weight 327.35 g/mol
Molecular Formula C14H17NO6S
Exact Mass 327.077658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1psz4RKTZUC
Name N-Acetyl-o-p-toluenesulfonyl-L-hydroxyproline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.077658439 u
Formula C14H17NO6S
InChI InChI=1S/C14H17NO6S/c1-9-3-5-12(6-4-9)22(19,20)21-11-7-13(14(17)18)15(8-11)10(2)16/h3-6,11,13H,7-8H2,1-2H3,(H,17,18)/t11?,13-/m0/s1
InChIKey ZGILGOQVJWEWSV-YUZLPWPTSA-N
Molecular Weight 327.351 g/mol
SMILES C1N([C@@](CC1OS(=O)(=O)C1=CC=C(C)C=C1)(C(O)=O)[H])C(C)=O