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N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, o-heptafluorobutyryl-
SpectraBase Compound ID 9yCyn8Tr3Zg
InChI InChI=1S/C14H12F7NO5S/c1-7-3-5-9(6-4-7)28(25,26)22-10(23)8(2)27-11(24)12(15,16)13(17,18)14(19,20)21/h3-6,8H,1-2H3,(H,22,23)
InChIKey CKSMFGOGSNPQSD-UHFFFAOYSA-N
Mol Weight 439.3 g/mol
Molecular Formula C14H12F7NO5S
Exact Mass 439.032441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nC76kgWrbU
Name N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.032440800 u
Formula C14H12F7NO5S
InChI InChI=1S/C14H12F7NO5S/c1-7-3-5-9(6-4-7)28(25,26)22-10(23)8(2)27-11(24)12(15,16)13(17,18)14(19,20)21/h3-6,8H,1-2H3,(H,22,23)
InChIKey CKSMFGOGSNPQSD-UHFFFAOYSA-N
Molecular Weight 439.301 g/mol
SMILES C1=C(C=CC(=C1)C)S(NC(C(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)(=O)=O