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3-(butylamino)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

3-(butylamino)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one
SpectraBase Compound ID 6I8vZhpCgc
InChI InChI=1S/C9H14F3N3O/c1-2-3-4-13-7-5-8(16)15(14-7)6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKey MNGTYKFWLFEJRS-UHFFFAOYSA-N
Mol Weight 237.23 g/mol
Molecular Formula C9H14F3N3O
Exact Mass 237.108897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PkpSo1Veyu
Name 3-(BUTYLAMINO)-1-(2,2,2-TRIFLUOROETHYL)-2-PYRAZOLIN-5-ONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14F3N3O
InChI InChI=1S/C9H14F3N3O/c1-2-3-4-13-7-5-8(16)15(14-7)6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKey MNGTYKFWLFEJRS-UHFFFAOYSA-N
Molecular Weight 237.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-5-ONE, 3-/BUTYLAMINO/-1-/2,2,2-TRIFLUOROETHYL/-,