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6-Methyl-2-oxo-4-(3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester
SpectraBase Compound ID G5hnnNHXVXk
InChI InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-6-7-25-2)13(21-15(23)20-9)10-4-3-5-11(8-10)16(17,18)19/h3-5,8,13H,6-7H2,1-2H3,(H2,20,21,23)
InChIKey IWWMZRCVCMGNIK-UHFFFAOYSA-N
Mol Weight 374.38 g/mol
Molecular Formula C16H17F3N2O3S
Exact Mass 374.091198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HuKuv0KbqSG
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-, 2-(methylthio)ethyl 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 374.091198075 u
Formula C16H17F3N2O3S
InChI InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-6-7-25-2)13(21-15(23)20-9)10-4-3-5-11(8-10)16(17,18)19/h3-5,8,13H,6-7H2,1-2H3,(H2,20,21,23)
InChIKey IWWMZRCVCMGNIK-UHFFFAOYSA-N
Molecular Weight 374.378 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14688
Solvent DMSO-d6
Source Vendor ID: NMR/10322862; Lab Info: SAS; Lab Number: SAS-tst4456