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N-(2,3-dichlorophenyl)-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide

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N-(2,3-dichlorophenyl)-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID 7yYfJDF9tBd
InChI InChI=1S/C13H11Cl2N3O2S/c1-7-5-10(19)18-13(16-7)21-6-11(20)17-9-4-2-3-8(14)12(9)15/h2-5H,6H2,1H3,(H,17,20)(H,16,18,19)
InChIKey QORLNNGHNAQWRR-UHFFFAOYSA-N
Mol Weight 344.22 g/mol
Molecular Formula C13H11Cl2N3O2S
Exact Mass 342.994903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID c1qicv5C8x
Name N-(2,3-Dichlorophenyl)-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.994903178 u
Formula C13H11Cl2N3O2S
InChI InChI=1S/C13H11Cl2N3O2S/c1-7-5-10(19)18-13(16-7)21-6-11(20)17-9-4-2-3-8(14)12(9)15/h2-5H,6H2,1H3,(H,17,20)(H,16,18,19)
InChIKey QORLNNGHNAQWRR-UHFFFAOYSA-N
Molecular Weight 344.216 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)Cl)C(CSC=1NC(C=C(N1)C)=O)=O