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2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
SpectraBase Compound ID Eru6JOD9Qhv
InChI InChI=1S/C18H16F3N5O3/c1-9-6-10(2)23-16(22-9)25-17-24-14(27)8-13(15(28)29)26(17)12-5-3-4-11(7-12)18(19,20)21/h3-7,13H,8H2,1-2H3,(H,28,29)(H,22,23,24,25,27)
InChIKey JOKLUINWQXDZLH-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C18H16F3N5O3
Exact Mass 407.120524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHQQkaM3Fmv
Name 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
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/C18H16F3N5O3/c1-9-6-10(2)23-16(22-9)25-17-24-14(27)8-13(15(28)29)26(17)12-5-3-4-11(7-12)18(19,20)21/h3-7,13H,8H2,1-2H3,(H,28,29)(H,22,23,24,25,27)
InChIKey JOKLUINWQXDZLH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13853
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: D91372; Labnumber: VGU-31757; SBI_ID: SBI-013856
Temperature 318 °C