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3-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
SpectraBase Compound ID 9TZKFOQxKrW
InChI InChI=1S/C17H15ClFN5O3/c1-8-5-9(2)21-16(20-8)23-17-22-14(25)7-13(15(26)27)24(17)10-3-4-12(19)11(18)6-10/h3-6,13H,7H2,1-2H3,(H,26,27)(H,20,21,22,23,25)
InChIKey UVFYJPLHWMSETR-UHFFFAOYSA-N
Mol Weight 391.79 g/mol
Molecular Formula C17H15ClFN5O3
Exact Mass 391.084745 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYR4f8l3JHR
Name 3-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-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/C17H15ClFN5O3/c1-8-5-9(2)21-16(20-8)23-17-22-14(25)7-13(15(26)27)24(17)10-3-4-12(19)11(18)6-10/h3-6,13H,7H2,1-2H3,(H,26,27)(H,20,21,22,23,25)
InChIKey UVFYJPLHWMSETR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29158
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: D91265; Labnumber: VGU-18507; SBI_ID: SBI-029162
Temperature 318 °C