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Ethyl 5-benzyl-2-benzylsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydropyridine-3-carboxylate
SpectraBase Compound ID 6Ex6aS2h7hg
InChI InChI=1S/C25H26N2O3S/c1-4-30-22(28)20-21(31-16-19-13-9-6-10-14-19)27-23(29)25(17-26,24(20,2)3)15-18-11-7-5-8-12-18/h5-14H,4,15-16H2,1-3H3,(H,27,29)
InChIKey NTJYARNUDZWLQO-UHFFFAOYSA-N
Mol Weight 434.55 g/mol
Molecular Formula C25H26N2O3S
Exact Mass 434.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyZZsGnlwkc
Name Ethyl 5-benzyl-2-benzylsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydropyridine-3-carboxylate
Alternate Name(s) Ethyl 5-Benzyl-2-benzylsulsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydro-pyridine-3-carboxylate 5-cyano-4,4-dimethyl-6-oxo-5-(phenylmethyl)-2-(phenylmethylthio)-1H-pyridine-3-carboxylic acid ethyl ester Ethyl 5-benzyl-2-benzylsulfanyl-5-cyano-4,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate Ethyl 5-cyano-4,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate
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Formula C25H26N2O3S
InChI InChI=1S/C25H26N2O3S/c1-4-30-22(28)20-21(31-16-19-13-9-6-10-14-19)27-23(29)25(17-26,24(20,2)3)15-18-11-7-5-8-12-18/h5-14H,4,15-16H2,1-3H3,(H,27,29)
InChIKey NTJYARNUDZWLQO-UHFFFAOYSA-N
Molecular Weight 434.554 g/mol
SMILES N1C(C(C(C(=C1SCc1ccccc1)C(=O)OCC)(C)C)(C#N)Cc1ccccc1)=O
SPLASH splash10-0006-9043200000-8a5168a3e7de878876e0
Source of Spectrum O1-47-1219-7
Wiley ID 1690369