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N-{2-[3,6-Bis(trifluoromethyl)pyridazin-4-yl]phenyl}methanesulfonamide
SpectraBase Compound ID HbD4dqZU7iA
InChI InChI=1S/C13H9F6N3O2S/c1-25(23,24)22-9-5-3-2-4-7(9)8-6-10(12(14,15)16)20-21-11(8)13(17,18)19/h2-6,22H,1H3
InChIKey LBIJLPFJVKEJKL-UHFFFAOYSA-N
Mol Weight 385.28 g/mol
Molecular Formula C13H9F6N3O2S
Exact Mass 385.031967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHimYKKSALr
Name N-{2-[3,6-Bis(trifluoromethyl)pyridazin-4-yl]phenyl}methanesulfonamide
Alternate Name(s) N-{2-[3,6-bis(trifluoromethyl)-4-pyridazinyl]phenyl}methanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F6N3O2S
InChI InChI=1S/C13H9F6N3O2S/c1-25(23,24)22-9-5-3-2-4-7(9)8-6-10(12(14,15)16)20-21-11(8)13(17,18)19/h2-6,22H,1H3
InChIKey LBIJLPFJVKEJKL-UHFFFAOYSA-N
Molecular Weight 385.284 g/mol
SMILES N(S(=O)(=O)C)c1c(-c2c(nnc(C(F)(F)F)c2)C(F)(F)F)cccc1
SPLASH splash10-000i-0397000000-5eba8635dc1d0ece1624
Source of Spectrum H1-38-1809-6
Wiley ID 756537