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2-Pyrrolidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-(4-fluorophenyl)-
SpectraBase Compound ID DGf3HhfmDXL
InChI InChI=1S/C19H20FN3O4S/c1-13(24)21-15-8-10-17(11-9-15)28(26,27)23-12-2-3-18(23)19(25)22-16-6-4-14(20)5-7-16/h4-11,18H,2-3,12H2,1H3,(H,21,24)(H,22,25)
InChIKey QKYQVYSDLDANPR-UHFFFAOYSA-N
Mol Weight 405.44 g/mol
Molecular Formula C19H20FN3O4S
Exact Mass 405.115855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8df3UE50S4E
Name 2-Pyrrolidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-(4-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.115855469 u
Formula C19H20FN3O4S
InChI InChI=1S/C19H20FN3O4S/c1-13(24)21-15-8-10-17(11-9-15)28(26,27)23-12-2-3-18(23)19(25)22-16-6-4-14(20)5-7-16/h4-11,18H,2-3,12H2,1H3,(H,21,24)(H,22,25)
InChIKey QKYQVYSDLDANPR-UHFFFAOYSA-N
Molecular Weight 405.444 g/mol
SMILES C1C(C(=O)NC2=CC=C(C=C2)F)N(CC1)S(=O)(=O)C=1C=CC(NC(=O)C)=CC1