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2-Aminoethanesulphonic acid, N-pentafluorobenzoyl-, dibutylamide

View entire compound with spectra: 1 NMR

2-Aminoethanesulphonic acid, N-pentafluorobenzoyl-, dibutylamide
SpectraBase Compound ID 17FIUOzdIDP
InChI InChI=1S/C17H23F5N2O3S/c1-3-5-8-24(9-6-4-2)28(26,27)10-7-23-17(25)11-12(18)14(20)16(22)15(21)13(11)19/h3-10H2,1-2H3,(H,23,25)
InChIKey SXFSQCLYAVYCCY-UHFFFAOYSA-N
Mol Weight 430.43 g/mol
Molecular Formula C17H23F5N2O3S
Exact Mass 430.134955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rJrkSdks99
Name 2-Aminoethanesulphonic acid, N-pentafluorobenzoyl-, dibutylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.134954595 u
Formula C17H23F5N2O3S
InChI InChI=1S/C17H23F5N2O3S/c1-3-5-8-24(9-6-4-2)28(26,27)10-7-23-17(25)11-12(18)14(20)16(22)15(21)13(11)19/h3-10H2,1-2H3,(H,23,25)
InChIKey SXFSQCLYAVYCCY-UHFFFAOYSA-N
Molecular Weight 430.434 g/mol
SMILES C(=O)(NCCS(N(CCCC)CCCC)(=O)=O)C1=C(F)C(=C(C(=C1F)F)F)F