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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fm7EOds96Lz
Name 5-(butylamino)-2-(2,2,2-trifluoroethyl)-2,4-dihydro-3H-pyrazol-3-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17697
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00005984; Labnumber: 987/00005984218873; VK_ID: VK-017702
Temperature 315 °C