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dimethyl 2-(6-[{4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1,2,2-trimethyl-3-thioxo-1,2,3,4-tetrahydro-6-quinolinyl}(phenyl)methyl]-1,2,2-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID 1JN2BPrcYn2
InChI InChI=1S/C45H42N2O8S6/c1-44(2)36(56)30(42-58-32(38(48)52-7)33(59-42)39(49)53-8)25-20-23(16-18-27(25)46(44)5)29(22-14-12-11-13-15-22)24-17-19-28-26(21-24)31(37(57)45(3,4)47(28)6)43-60-34(40(50)54-9)35(61-43)41(51)55-10/h11-21,29H,1-10H3
InChIKey CMBQEVCNEWPKNI-UHFFFAOYSA-N
Mol Weight 931.2 g/mol
Molecular Formula C45H42N2O8S6
Exact Mass 930.126543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8tIw43TDUmm
Name dimethyl 2-(6-[{4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1,2,2-trimethyl-3-thioxo-1,2,3,4-tetrahydro-6-quinolinyl}(phenyl)methyl]-1,2,2-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/C45H42N2O8S6/c1-44(2)36(56)30(42-58-32(38(48)52-7)33(59-42)39(49)53-8)25-20-23(16-18-27(25)46(44)5)29(22-14-12-11-13-15-22)24-17-19-28-26(21-24)31(37(57)45(3,4)47(28)6)43-60-34(40(50)54-9)35(61-43)41(51)55-10/h11-21,29H,1-10H3
InChIKey CMBQEVCNEWPKNI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14056
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: 201000; Labnumber: VGU-05954; VK_ID: VK-014061
Synonyms dimethyl 2-(6-[{4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1,2,2-trimethyl-3-thioxo-1,2,3,4-tetrahydro-6-quinolinyl}(phenyl)methyl]-1,2,2-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-
Temperature 308 °C