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5-(4-Chlorophenylsulfonylamino)-1-(4-fluorophenylmethyl)-1H-imidazole-4-carboxylic acid-ethylester
SpectraBase Compound ID JeOuDMLTe2e
InChI InChI=1S/C19H17ClFN3O4S/c1-2-28-19(25)17-18(23-29(26,27)16-9-5-14(20)6-10-16)24(12-22-17)11-13-3-7-15(21)8-4-13/h3-10,12,23H,2,11H2,1H3
InChIKey BODPUTQLABAEBZ-UHFFFAOYSA-N
Mol Weight 437.87 g/mol
Molecular Formula C19H17ClFN3O4S
Exact Mass 437.061233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IE8B9epdBQO
Name 5-(4-Chlorophenylsulfonylamino)-1-(4-fluorophenylmethyl)-1H-imidazole-4-carboxylic acid-ethylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.061233072 u
Formula C19H17ClFN3O4S
InChI InChI=1S/C19H17ClFN3O4S/c1-2-28-19(25)17-18(23-29(26,27)16-9-5-14(20)6-10-16)24(12-22-17)11-13-3-7-15(21)8-4-13/h3-10,12,23H,2,11H2,1H3
InChIKey BODPUTQLABAEBZ-UHFFFAOYSA-N
Molecular Weight 437.873 g/mol
SMILES C=1(S(=O)(NC2=C(N=CN2CC=2C=CC(=CC2)F)C(=O)OCC)=O)C=CC(=CC1)Cl