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N-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID 78dqrHqbv5p
InChI InChI=1S/C14H14ClN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3,(H,18,19)
InChIKey UHDYDXIGDNLQKB-UHFFFAOYSA-N
Mol Weight 307.8 g/mol
Molecular Formula C14H14ClN3OS
Exact Mass 307.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dN4Ca4PHyE
Name N-(4-Chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 307.054610956 u
Formula C14H14ClN3OS
InChI InChI=1S/C14H14ClN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3,(H,18,19)
InChIKey UHDYDXIGDNLQKB-UHFFFAOYSA-N
Molecular Weight 307.799 g/mol
SMILES N(C(CSC1=NC(C)=CC(=N1)C)=O)C1=CC=C(C=C1)Cl