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4-(3,4-Dimethoxy-phenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
SpectraBase Compound ID LcBJfFQ22kI
InChI InChI=1S/C24H22N2O2S/c1-27-22-10-9-17(12-23(22)28-2)19-13-21(26-24(29)20(19)14-25)18-8-7-15-5-3-4-6-16(15)11-18/h7-13H,3-6H2,1-2H3,(H,26,29)
InChIKey QUVFXNQOERHJSQ-UHFFFAOYSA-N
Mol Weight 402.51 g/mol
Molecular Formula C24H22N2O2S
Exact Mass 402.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 707Phw0I5u3
Name 4-(3,4-Dimethoxy-phenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
Alternate Name(s) 4-(3,4-dimethoxyphenyl)-2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H22N2O2S
InChI InChI=1S/C24H22N2O2S/c1-27-22-10-9-17(12-23(22)28-2)19-13-21(26-24(29)20(19)14-25)18-8-7-15-5-3-4-6-16(15)11-18/h7-13H,3-6H2,1-2H3,(H,26,29)
InChIKey QUVFXNQOERHJSQ-UHFFFAOYSA-N
Molecular Weight 402.512 g/mol
SMILES N1C(C(=C(C=C1c1cc2CCCCc2cc1)c1cc(OC)c(cc1)OC)C#N)=S
SPLASH splash10-0udi-0000900000-f1a5aa76876f65af9913
Source of Spectrum F2-44-4553-3a
Wiley ID 1705802