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diethyl 2-(1-isobutyryl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID 2Fnwj12b7Fj
InChI InChI=1S/C26H31NO5S3/c1-9-31-23(29)19-20(24(30)32-10-2)35-25(34-19)17-16-12-14(5)11-15(6)18(16)27(22(28)13(3)4)26(7,8)21(17)33/h11-13H,9-10H2,1-8H3
InChIKey GRHXWBRVJHCJAI-UHFFFAOYSA-N
Mol Weight 533.72 g/mol
Molecular Formula C26H31NO5S3
Exact Mass 533.136437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lm3g9oMnHEw
Name 2-(1-isobutyryl-2,2,6,8-tetramethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester
Alternate Name(s) 2-[2,2,6,8-tetramethyl-1-(2-methyl-1-oxopropyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Diethyl 2-[2,2,6,8-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Diethyl 2-[2,2,6,8-tetramethyl-1-(2-methylpropanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate
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Formula C26H31NO5S3
InChI InChI=1S/C26H31NO5S3/c1-9-31-23(29)19-20(24(30)32-10-2)35-25(34-19)17-16-12-14(5)11-15(6)18(16)27(22(28)13(3)4)26(7,8)21(17)33/h11-13H,9-10H2,1-8H3
InChIKey GRHXWBRVJHCJAI-UHFFFAOYSA-N
Molecular Weight 533.716 g/mol
SMILES C1(=C2SC(C(=O)OCC)=C(S2)C(=O)OCC)C(C(C)(C)N(c2c1cc(cc2C)C)C(=O)C(C)C)=S
SPLASH splash10-0006-9242430000-bdbca5d96200ba9ef8f5
Wiley ID 1447235