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5-Pyrimidinecarboxylic acid, 4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(methylthio)ethyl ester

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5-Pyrimidinecarboxylic acid, 4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(methylthio)ethyl ester
SpectraBase Compound ID 5WslTmY2IdD
InChI InChI=1S/C15H17BrN2O3S/c1-9-12(14(19)21-7-8-22-2)13(18-15(20)17-9)10-3-5-11(16)6-4-10/h3-6,13H,7-8H2,1-2H3,(H2,17,18,20)
InChIKey HDRSPQOGMCPABA-UHFFFAOYSA-N
Mol Weight 385.28 g/mol
Molecular Formula C15H17BrN2O3S
Exact Mass 384.014327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69xhI0Yz9yx
Name 5-Pyrimidinecarboxylic acid, 4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(methylthio)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 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)10-3-5-11(16)6-4-10/h3-6,13H,7-8H2,1-2H3,(H2,17,18,20)
InChIKey HDRSPQOGMCPABA-UHFFFAOYSA-N
Molecular Weight 385.276 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCSC)C=1C=CC(=CC1)Br)=O