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N-Acetyl-o-p-toluenesulfonyl-4-hydroxy-L-proline amide

View entire compound with spectra: 1 NMR

N-Acetyl-o-p-toluenesulfonyl-4-hydroxy-L-proline amide
SpectraBase Compound ID LOlBbNkyiri
InChI InChI=1S/C14H18N2O5S/c1-9-3-5-12(6-4-9)22(19,20)21-11-7-13(14(15)18)16(8-11)10(2)17/h3-6,11,13H,7-8H2,1-2H3,(H2,15,18)/t11?,13-/m0/s1
InChIKey RSVRPRACKLQODX-YUZLPWPTSA-N
Mol Weight 326.37 g/mol
Molecular Formula C14H18N2O5S
Exact Mass 326.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyFvuADMoLI
Name N-Acetyl-o-p-toluenesulfonyl-4-hydroxy-L-proline amide
Comments Computed using HOSE algorithm
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Exact Mass 326.093642857 u
Formula C14H18N2O5S
InChI InChI=1S/C14H18N2O5S/c1-9-3-5-12(6-4-9)22(19,20)21-11-7-13(14(15)18)16(8-11)10(2)17/h3-6,11,13H,7-8H2,1-2H3,(H2,15,18)/t11?,13-/m0/s1
InChIKey RSVRPRACKLQODX-YUZLPWPTSA-N
Molecular Weight 326.367 g/mol
SMILES C1N([C@@](CC1OS(=O)(=O)C1=CC=C(C)C=C1)(C(N)=O)[H])C(=O)C