For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(1-isovaleryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID 5wuNkwTn73z
InChI InChI=1S/C25H29NO5S3/c1-7-30-22(28)19-20(23(29)31-8-2)34-24(33-19)18-15-11-9-10-12-16(15)26(17(27)13-14(3)4)25(5,6)21(18)32/h9-12,14H,7-8,13H2,1-6H3
InChIKey WWNWLDBDVXHXPR-UHFFFAOYSA-N
Mol Weight 519.69 g/mol
Molecular Formula C25H29NO5S3
Exact Mass 519.120787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HrEkP3FBZ7w
Name 2-(1-isovaleryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO5S3
InChI InChI=1S/C25H29NO5S3/c1-7-30-22(28)19-20(23(29)31-8-2)34-24(33-19)18-15-11-9-10-12-16(15)26(17(27)13-14(3)4)25(5,6)21(18)32/h9-12,14H,7-8,13H2,1-6H3
InChIKey WWNWLDBDVXHXPR-UHFFFAOYSA-N
Molecular Weight 519.689 g/mol
SMILES c12c(cccc2)N(C(C(C1=C1SC(=C(S1)C(OCC)=O)C(=O)OCC)=S)(C)C)C(CC(C)C)=O
SPLASH splash10-0a4l-9331300000-a208f554a827b9b89bdb
Synonyms 2-[2,2-dimethyl-1-(3-methyl-1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Diethyl 2-[2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Diethyl 2-[2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate
Wiley ID 1446329