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2-[3-(4-tert-Butyl-phenoxy)-2-hydroxy-propylsulfanyl]-4,6-dimethyl-nicotinonitrile
SpectraBase Compound ID IEIEiQ3NBJ8
InChI InChI=1S/C21H26N2O2S/c1-14-10-15(2)23-20(19(14)11-22)26-13-17(24)12-25-18-8-6-16(7-9-18)21(3,4)5/h6-10,17,24H,12-13H2,1-5H3
InChIKey WJTKZWDLRJJCAO-UHFFFAOYSA-N
Mol Weight 370.51 g/mol
Molecular Formula C21H26N2O2S
Exact Mass 370.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjNNEbJ1nNG
Name 2-[3-(4-tert-Butyl-phenoxy)-2-hydroxy-propylsulfanyl]-4,6-dimethyl-nicotinonitrile
Alternate Name(s) 2-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile 2-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile 2-[[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile 2-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile
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Formula C21H26N2O2S
InChI InChI=1S/C21H26N2O2S/c1-14-10-15(2)23-20(19(14)11-22)26-13-17(24)12-25-18-8-6-16(7-9-18)21(3,4)5/h6-10,17,24H,12-13H2,1-5H3
InChIKey WJTKZWDLRJJCAO-UHFFFAOYSA-N
Molecular Weight 370.511 g/mol
SMILES OC(CSc1c(c(cc(C)n1)C)C#N)COc1ccc(C(C)(C)C)cc1
SPLASH splash10-0a4i-4980000000-057227bb38d8a5798f49
Wiley ID 1438281