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

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1,3-dithiole-4,5-dicarboxylic acid, 2-(6-(benzoyloxy)-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester
SpectraBase Compound ID Jzbh5KWtItY
InChI InChI=1S/C25H21NO6S3/c1-25(2)20(33)17(24-34-18(22(28)30-3)19(35-24)23(29)31-4)15-12-14(10-11-16(15)26-25)32-21(27)13-8-6-5-7-9-13/h5-12,26H,1-4H3
InChIKey KHLJXNBSAMXJKR-UHFFFAOYSA-N
Mol Weight 527.62 g/mol
Molecular Formula C25H21NO6S3
Exact Mass 527.053101 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ITatzor1uDi
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(6-(benzoyloxy)-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H21NO6S3/c1-25(2)20(33)17(24-34-18(22(28)30-3)19(35-24)23(29)31-4)15-12-14(10-11-16(15)26-25)32-21(27)13-8-6-5-7-9-13/h5-12,26H,1-4H3
InChIKey KHLJXNBSAMXJKR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4757
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11318938