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methyl 2-(acetylamino)-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3,3,3-trifluoropropanoate
SpectraBase Compound ID FOC1TSE9JmL
InChI InChI=1S/C17H19F3N4O4/c1-10-13(14(26)24(23(10)3)12-8-6-5-7-9-12)22-16(15(27)28-4,17(18,19)20)21-11(2)25/h5-9,22H,1-4H3,(H,21,25)
InChIKey QGXMMZHGKRLGGV-UHFFFAOYSA-N
Mol Weight 400.36 g/mol
Molecular Formula C17H19F3N4O4
Exact Mass 400.13584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IMIHv54bGKi
Name methyl 2-(acetylamino)-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3,3,3-trifluoropropanoate
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/C17H19F3N4O4/c1-10-13(14(26)24(23(10)3)12-8-6-5-7-9-12)22-16(15(27)28-4,17(18,19)20)21-11(2)25/h5-9,22H,1-4H3,(H,21,25)
InChIKey QGXMMZHGKRLGGV-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_465
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: C27179; Labnumber: SOK-1108; SBI_ID: SBI-000467
Temperature 308 °C