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acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-[(E)-(2-ethoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 9On6KJrN9pB
InChI InChI=1S/C17H20N4O2S/c1-4-23-15-8-6-5-7-14(15)10-18-21-16(22)11-24-17-19-12(2)9-13(3)20-17/h5-10H,4,11H2,1-3H3,(H,21,22)/b18-10+
InChIKey WOXXFSIMTXQBAQ-VCHYOVAHSA-N
Mol Weight 344.43 g/mol
Molecular Formula C17H20N4O2S
Exact Mass 344.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdEaHERsjZZ
Name Acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-[(E)-(2-ethoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 344.130697072 u
Formula C17H20N4O2S
InChI InChI=1S/C17H20N4O2S/c1-4-23-15-8-6-5-7-14(15)10-18-21-16(22)11-24-17-19-12(2)9-13(3)20-17/h5-10H,4,11H2,1-3H3,(H,21,22)/b18-10+
InChIKey WOXXFSIMTXQBAQ-VCHYOVAHSA-N
Molecular Weight 344.433 g/mol
SMILES N(\N=C\C1=C(OCC)C=CC=C1)C(CSC1=NC(C)=CC(=N1)C)=O