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Pyrrolidine-2-carboxylic acid, 1-(4-fluorobenzenesulfonyl)-, (2,4-dimethylphenyl)amide
SpectraBase Compound ID D7GraMq94Pg
InChI InChI=1S/C19H21FN2O3S/c1-13-5-10-17(14(2)12-13)21-19(23)18-4-3-11-22(18)26(24,25)16-8-6-15(20)7-9-16/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)
InChIKey QIJUNIOQQXSDQH-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C19H21FN2O3S
Exact Mass 376.125692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hT6tjujMf4
Name Pyrrolidine-2-carboxylic acid, 1-(4-fluorobenzenesulfonyl)-, (2,4-dimethylphenyl)amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.125691878 u
Formula C19H21FN2O3S
InChI InChI=1S/C19H21FN2O3S/c1-13-5-10-17(14(2)12-13)21-19(23)18-4-3-11-22(18)26(24,25)16-8-6-15(20)7-9-16/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)
InChIKey QIJUNIOQQXSDQH-UHFFFAOYSA-N
Molecular Weight 376.446 g/mol
SMILES CC1=CC=C(C(C)=C1)NC(C1N(CCC1)S(C1=CC=C(C=C1)F)(=O)=O)=O