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1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-2,3-dihydro-2,2-dimethyl-1-(1-oxopentyl)-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester

View entire compound with spectra: 1 NMR

1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-2,3-dihydro-2,2-dimethyl-1-(1-oxopentyl)-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester
SpectraBase Compound ID 1ufjx28lfr4
InChI InChI=1S/C25H29NO6S3/c1-7-9-10-17(27)26-16-12-11-14(32-8-2)13-15(16)18(21(33)25(26,3)4)24-34-19(22(28)30-5)20(35-24)23(29)31-6/h11-13H,7-10H2,1-6H3
InChIKey HEMSFISGKQIIAX-UHFFFAOYSA-N
Mol Weight 535.69 g/mol
Molecular Formula C25H29NO6S3
Exact Mass 535.115701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CuvzyX78OI3
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-2,3-dihydro-2,2-dimethyl-1-(1-oxopentyl)-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.115701174 u
Formula C25H29NO6S3
InChI InChI=1S/C25H29NO6S3/c1-7-9-10-17(27)26-16-12-11-14(32-8-2)13-15(16)18(21(33)25(26,3)4)24-34-19(22(28)30-5)20(35-24)23(29)31-6/h11-13H,7-10H2,1-6H3
InChIKey HEMSFISGKQIIAX-UHFFFAOYSA-N
Molecular Weight 535.688 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3007
Solvent DMSO-d6
Source Vendor ID: NMR/9248762; Lab Info: *1094969*; Lab Number: BAS 1094969
Temperature 29.85 °C