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acetamide, N-(2,5-dichlorophenyl)-2-[(4-hydroxy-2-pyrimidinyl)thio]-
SpectraBase Compound ID IbuyehWc7RV
InChI InChI=1S/C12H9Cl2N3O2S/c13-7-1-2-8(14)9(5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKey OMDXANYRWMPXNE-UHFFFAOYSA-N
Mol Weight 330.19 g/mol
Molecular Formula C12H9Cl2N3O2S
Exact Mass 328.979253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIGPVS0hiwE
Name Acetamide, N-(2,5-dichlorophenyl)-2-[(4-hydroxy-2-pyrimidinyl)thio]-
Comments Computed using HOSE algorithm
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Exact Mass 328.979253114 u
Formula C12H9Cl2N3O2S
InChI InChI=1S/C12H9Cl2N3O2S/c13-7-1-2-8(14)9(5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKey OMDXANYRWMPXNE-UHFFFAOYSA-N
Molecular Weight 330.189 g/mol
SMILES N(C1=CC(Cl)=CC=C1Cl)C(CSC=1N=C(C=CN1)O)=O