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4,6-DIMETHYL-1-(2-O-PARA-TOLYLSULFONYLETHOXYMETHYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
SpectraBase Compound ID 8XJvCBcUPz6
InChI InChI=1S/C18H20N2O5S/c1-13-4-6-16(7-5-13)26(22,23)25-9-8-24-12-20-15(3)10-14(2)17(11-19)18(20)21/h4-7,10H,8-9,12H2,1-3H3
InChIKey XXBMMVSSINVNAX-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C18H20N2O5S
Exact Mass 376.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8c8xGPcaij
Name 2-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate
Alternate Name(s) 2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)methoxy]ethyl 4-methylbenzenesulfonate 2-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 2-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)methoxy]ethyl ester 4-Methylbenzenesulfonic acid 2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)methoxy]ethyl ester
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Formula C18H20N2O5S
InChI InChI=1S/C18H20N2O5S/c1-13-4-6-16(7-5-13)26(22,23)25-9-8-24-12-20-15(3)10-14(2)17(11-19)18(20)21/h4-7,10H,8-9,12H2,1-3H3
InChIKey XXBMMVSSINVNAX-UHFFFAOYSA-N
Molecular Weight 376.427 g/mol
SMILES C=1(C(N(COCCOS(c2ccc(cc2)C)(=O)=O)C(=CC1C)C)=O)C#N
SPLASH splash10-052f-9621000000-e330cf272debb4550d07
Source of Spectrum AJ-41-315-5
Wiley ID 1567409