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Propanamide, 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(4-methoxyphenyl)-
SpectraBase Compound ID 1crN8tY8xqZ
InChI InChI=1S/C18H19N3O2S/c1-12-10-13(2)20-18(16(12)11-19)24-9-8-17(22)21-14-4-6-15(23-3)7-5-14/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKey WQGODJVOULLEDD-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C18H19N3O2S
Exact Mass 341.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QnV5ICk3El
Name Propanamide, 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 341.119798036 u
Formula C18H19N3O2S
InChI InChI=1S/C18H19N3O2S/c1-12-10-13(2)20-18(16(12)11-19)24-9-8-17(22)21-14-4-6-15(23-3)7-5-14/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKey WQGODJVOULLEDD-UHFFFAOYSA-N
Molecular Weight 341.429 g/mol
SMILES C1(=C(N=C(C=C1C)C)SCCC(NC=1C=CC(OC)=CC1)=O)C#N