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4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester

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4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-methylsulfanyl-ethyl ester
SpectraBase Compound ID 3KqxCftTSAj
InChI InChI=1S/C15H17BrN2O3S/c1-9-12(14(19)21-7-8-22-2)13(18-15(20)17-9)10-5-3-4-6-11(10)16/h3-6,13H,7-8H2,1-2H3,(H2,17,18,20)
InChIKey TWCFGSSEBKLZLF-UHFFFAOYSA-N
Mol Weight 385.28 g/mol
Molecular Formula C15H17BrN2O3S
Exact Mass 384.014327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aHXeEuoeii
Name 5-pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 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 384.014326586 u
Formula C15H17BrN2O3S
InChI InChI=1S/C15H17BrN2O3S/c1-9-12(14(19)21-7-8-22-2)13(18-15(20)17-9)10-5-3-4-6-11(10)16/h3-6,13H,7-8H2,1-2H3,(H2,17,18,20)
InChIKey TWCFGSSEBKLZLF-UHFFFAOYSA-N
Molecular Weight 385.276 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16407
Solvent DMSO-d6
Source Vendor ID: NMR/10322886; Lab Info: SAS; Lab Number: SAS-tst4480