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N-Acetyl-o-p-toluenesulfonyl-4-hydroxyproline methyl ester
SpectraBase Compound ID 5fR3PUosEjs
InChI InChI=1S/C15H19NO6S/c1-10-4-6-13(7-5-10)23(19,20)22-12-8-14(15(18)21-3)16(9-12)11(2)17/h4-7,12,14H,8-9H2,1-3H3
InChIKey KCONJLWEYUCWTH-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C15H19NO6S
Exact Mass 341.093309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9j4GB7P5GbL
Name N-Acetyl-o-p-toluenesulfonyl-4-hydroxyproline methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.093308504 u
Formula C15H19NO6S
InChI InChI=1S/C15H19NO6S/c1-10-4-6-13(7-5-10)23(19,20)22-12-8-14(15(18)21-3)16(9-12)11(2)17/h4-7,12,14H,8-9H2,1-3H3
InChIKey KCONJLWEYUCWTH-UHFFFAOYSA-N
Molecular Weight 341.378 g/mol
SMILES C1N(C(CC1OS(=O)(=O)C1=CC=C(C)C=C1)C(OC)=O)C(=O)C