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5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-, 1-methylethyl ester
SpectraBase Compound ID 6sSFEZU7cJE
InChI InChI=1S/C16H17F3N2O3/c1-8(2)24-14(22)12-9(3)20-15(23)21-13(12)10-4-6-11(7-5-10)16(17,18)19/h4-8,13H,1-3H3,(H2,20,21,23)
InChIKey BGCSYYDMZFQONT-UHFFFAOYSA-N
Mol Weight 342.32 g/mol
Molecular Formula C16H17F3N2O3
Exact Mass 342.119127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HCHkZiRgk7U
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-, 1-methylethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.119126901 u
Formula C16H17F3N2O3
InChI InChI=1S/C16H17F3N2O3/c1-8(2)24-14(22)12-9(3)20-15(23)21-13(12)10-4-6-11(7-5-10)16(17,18)19/h4-8,13H,1-3H3,(H2,20,21,23)
InChIKey BGCSYYDMZFQONT-UHFFFAOYSA-N
Molecular Weight 342.318 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9386
Solvent DMSO-d6
Source Vendor ID: NMR/10240549; Lab Info: SAS; Lab Number: SAS-tst3737
Temperature 23.85 °C