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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FlJfWYyJni
Name Pyrazol-3-one, 5-butylamino-2-(2,2,2-trifluoroethyl)-2,4-dihydro-
Copyright Copyright © 2020-2024 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 237.226 g/mol
SMILES N(C1=NN(C(C1)=O)CC(F)(F)F)CCCC
SPLASH splash10-0006-9620000000-dcbe7bc1a107e5bd6afa
Synonyms 5-(butylamino)-2-(2,2,2-trifluoroethyl)-2-pyrazolin-3-one 5-(butylamino)-2-(2,2,2-trifluoroethyl)-4H-pyrazol-3-one 5-(butylamino)-2-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrazol-3-one
Wiley ID 1437075