2-(Methylsulfanyl)ethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

SpectraBase Compound ID	5oCVUizC0Fp
InChI	InChI=1S/C16H17F3N2O4S/c1-9-12(14(22)24-7-8-26-2)13(21-15(23)20-9)10-3-5-11(6-4-10)25-16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23)
InChIKey	YETPPAZPISDNHG-UHFFFAOYSA-N Google Search
Mol Weight	390.38 g/mol
Molecular Formula	C16H17F3N2O4S
Exact Mass	390.086113 g/mol

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SpectraBase Spectrum ID	LMqHMXL0PAZ
Name	5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-(trifluoromethoxy)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	390.086112694 u
Formula	C16H17F3N2O4S
InChI	InChI=1S/C16H17F3N2O4S/c1-9-12(14(22)24-7-8-26-2)13(21-15(23)20-9)10-3-5-11(6-4-10)25-16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23)
InChIKey	YETPPAZPISDNHG-UHFFFAOYSA-N
Molecular Weight	390.377 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14679
Solvent	DMSO-d6
Source	Vendor ID: NMR/10322810; Lab Info: SAS; Lab Number: SAS-tst4404