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1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-6-methoxy-2,2-dimethyl-1-(1-oxohexyl)-3-thioxo-4(1H)-quinolinylidene)-, diethyl ester

View entire compound with spectra: 1 NMR

1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-6-methoxy-2,2-dimethyl-1-(1-oxohexyl)-3-thioxo-4(1H)-quinolinylidene)-, diethyl ester
SpectraBase Compound ID 9LAC57it3I7
InChI InChI=1S/C27H33NO6S3/c1-7-10-11-12-19(29)28-18-14-13-16(32-6)15-17(18)20(23(35)27(28,4)5)26-36-21(24(30)33-8-2)22(37-26)25(31)34-9-3/h13-15H,7-12H2,1-6H3
InChIKey BCIQLYUNQTUFSV-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C27H33NO6S3
Exact Mass 563.147001 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8FyHMZ173UC
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-6-methoxy-2,2-dimethyl-1-(1-oxohexyl)-3-thioxo-4(1H)-quinolinylidene)-, diethyl 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 563.147001303 u
Formula C27H33NO6S3
InChI InChI=1S/C27H33NO6S3/c1-7-10-11-12-19(29)28-18-14-13-16(32-6)15-17(18)20(23(35)27(28,4)5)26-36-21(24(30)33-8-2)22(37-26)25(31)34-9-3/h13-15H,7-12H2,1-6H3
InChIKey BCIQLYUNQTUFSV-UHFFFAOYSA-N
Molecular Weight 563.742 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1486
Solvent DMSO-d6
Source Vendor ID: NMR/8267705; Lab Info: XXX; Lab Number: X-015239
Temperature 29.85 °C