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dimethyl 2-(6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

dimethyl 2-(6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID EDHbLCp3P6U
InChI InChI=1S/C24H27NO6S3/c1-12(2)10-16(26)25-15-9-8-13(29-5)11-14(15)17(20(32)24(25,3)4)23-33-18(21(27)30-6)19(34-23)22(28)31-7/h8-9,11-12H,10H2,1-7H3
InChIKey IJXYETSQODXPSS-UHFFFAOYSA-N
Mol Weight 521.66 g/mol
Molecular Formula C24H27NO6S3
Exact Mass 521.100051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dye1ymUIC
Name 2-(1-isovaleryl-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO6S3
InChI InChI=1S/C24H27NO6S3/c1-12(2)10-16(26)25-15-9-8-13(29-5)11-14(15)17(20(32)24(25,3)4)23-33-18(21(27)30-6)19(34-23)22(28)31-7/h8-9,11-12H,10H2,1-7H3
InChIKey IJXYETSQODXPSS-UHFFFAOYSA-N
Molecular Weight 521.661 g/mol
SMILES c1cc(cc2c1N(C(C(C2=C1SC(=C(S1)C(OC)=O)C(OC)=O)=S)(C)C)C(CC(C)C)=O)OC
SPLASH splash10-052u-9471510000-3e6ed613730504b56905
Synonyms 2-[6-methoxy-2,2-dimethyl-1-(3-methyl-1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-(6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate
Wiley ID 1446978