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ethyl 2-(4-methyl-1H-pyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylate
SpectraBase Compound ID Ic5p1TNtPiM
InChI InChI=1S/C18H16F3N5O2/c1-3-28-16(27)14-9-22-17(26-10-11(2)8-23-26)25-15(14)24-13-6-4-5-12(7-13)18(19,20)21/h4-10H,3H2,1-2H3,(H,22,24,25)
InChIKey XZTDREWRKNXKAT-UHFFFAOYSA-N
Mol Weight 391.35 g/mol
Molecular Formula C18H16F3N5O2
Exact Mass 391.125609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9g5A6ibtp8U
Name ethyl 2-(4-methyl-1H-pyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylate
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/C18H16F3N5O2/c1-3-28-16(27)14-9-22-17(26-10-11(2)8-23-26)25-15(14)24-13-6-4-5-12(7-13)18(19,20)21/h4-10H,3H2,1-2H3,(H,22,24,25)
InChIKey XZTDREWRKNXKAT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21874
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: D55871; Labnumber: RNM-0950; SBI_ID: SBI-021878
Temperature 315 °C