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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

View entire compound with spectra: 2 NMR

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 6WmdtKGj7y5
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(6-[[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1,2,3,4-tetrahydro-1,2,2-trimethyl-3-thioxo-6-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 930.126543356 u
Formula C45H42N2O8S6
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
Molecular Weight 931.197 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8203
Solvent DMSO-d6
Source Vendor ID: NMR/9253415; Lab Info: VGY; Lab Number: VGY-0005954
Temperature 23.85 °C