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3-(4-Acetylanilino)-5-trifluoromethyl-1H-pyrazole
SpectraBase Compound ID F2USrgcIEq6
InChI InChI=1S/C12H10F3N3O/c1-7(19)8-2-4-9(5-3-8)16-11-6-10(17-18-11)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKey NXXKJNRNKDLHSX-UHFFFAOYSA-N
Mol Weight 269.23 g/mol
Molecular Formula C12H10F3N3O
Exact Mass 269.077596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cScnHvZJoE
Name 3-(4-Acetylanilino)-5-trifluoromethyl-1H-pyrazole
Alternate Name(s) 1-(4-{[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino}phenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F3N3O
InChI InChI=1S/C12H10F3N3O/c1-7(19)8-2-4-9(5-3-8)16-11-6-10(17-18-11)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKey NXXKJNRNKDLHSX-UHFFFAOYSA-N
Molecular Weight 269.227 g/mol
SMILES [nH]1c(cc(n1)Nc1ccc(cc1)C(=O)C)C(F)(F)F
SPLASH splash10-0uxr-0190000000-d4cf3219b7a5c1de7799
Source of Spectrum F4-0-1490-4
Wiley ID 1619716