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N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SpectraBase Compound ID L7bVNL4mfRw
InChI InChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26)
InChIKey LJUBPXHISILQNX-UHFFFAOYSA-N
Mol Weight 463.33 g/mol
Molecular Formula C15H12F7N3O4S
Exact Mass 463.043674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IC5U3rSi7Vk
Name N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.043674189 u
Formula C15H12F7N3O4S
InChI InChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26)
InChIKey LJUBPXHISILQNX-UHFFFAOYSA-N
Molecular Weight 463.327 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C1=CC=C(S(NC2=C(C(C)=NO2)C)(=O)=O)C=C1