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alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylenesulfonic acid, 2-[6-methyl-4-(trifluoromethyl)-2-pyridyl]hydrazide

View entire compound with spectra: 3 NMR, and 1 FTIR

alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylenesulfonic acid, 2-[6-methyl-4-(trifluoromethyl)-2-pyridyl]hydrazide
SpectraBase Compound ID 37jsy7caJzb
InChI InChI=1S/C15H10F9N3O2S/c1-7-2-8(13(16,17)18)6-12(25-7)26-27-30(28,29)11-4-9(14(19,20)21)3-10(5-11)15(22,23)24/h2-6,27H,1H3,(H,25,26)
InChIKey VQQPSBYTWIOYEN-UHFFFAOYSA-N
Mol Weight 467.31 g/mol
Molecular Formula C15H10F9N3O2S
Exact Mass 467.035001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQYuc9jmtH2
Name alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylenesulfonic acid, 2-[6-methyl-4-(trifluoromethyl)-2-pyridyl]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.035001213 u
Formula C15H10F9N3O2S
InChI InChI=1S/C15H10F9N3O2S/c1-7-2-8(13(16,17)18)6-12(25-7)26-27-30(28,29)11-4-9(14(19,20)21)3-10(5-11)15(22,23)24/h2-6,27H,1H3,(H,25,26)
InChIKey VQQPSBYTWIOYEN-UHFFFAOYSA-N
Molecular Weight 467.310 g/mol
SMILES N(S(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)(=O)=O)NC1=NC(=CC(=C1)C(F)(F)F)C