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dimethyl 2-(1-isonicotinoyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID LnB58788TnP
InChI InChI=1S/C25H22N2O5S3/c1-13-6-7-16-15(12-13)17(24-34-18(22(29)31-4)19(35-24)23(30)32-5)20(33)25(2,3)27(16)21(28)14-8-10-26-11-9-14/h6-12H,1-5H3
InChIKey LRKPZZLNONLGRR-UHFFFAOYSA-N
Mol Weight 526.64 g/mol
Molecular Formula C25H22N2O5S3
Exact Mass 526.069085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2k11cCiNAra
Name dimethyl 2-(1-isonicotinoyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
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/C25H22N2O5S3/c1-13-6-7-16-15(12-13)17(24-34-18(22(29)31-4)19(35-24)23(30)32-5)20(33)25(2,3)27(16)21(28)14-8-10-26-11-9-14/h6-12H,1-5H3
InChIKey LRKPZZLNONLGRR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8420
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: 128137; Labnumber: VGU-14822; VK_ID: VK-008424
Temperature 315 °C