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

View entire compound with spectra: 1 NMR

1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-2,2,6-trimethyl-3-thioxo-1-(trifluoroacetyl)-4(1H)-quinolinylidene)-, dimethyl ester
SpectraBase Compound ID 8BmQKArZoc3
InChI InChI=1S/C21H18F3NO5S3/c1-9-6-7-11-10(8-9)12(15(31)20(2,3)25(11)19(28)21(22,23)24)18-32-13(16(26)29-4)14(33-18)17(27)30-5/h6-8H,1-5H3
InChIKey DFFOFNLBKZOAQY-UHFFFAOYSA-N
Mol Weight 517.55 g/mol
Molecular Formula C21H18F3NO5S3
Exact Mass 517.029921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pTfS13c5hG
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-2,2,6-trimethyl-3-thioxo-1-(trifluoroacetyl)-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/C21H18F3NO5S3/c1-9-6-7-11-10(8-9)12(15(31)20(2,3)25(11)19(28)21(22,23)24)18-32-13(16(26)29-4)14(33-18)17(27)30-5/h6-8H,1-5H3
InChIKey DFFOFNLBKZOAQY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4790
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/11328046