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1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-1-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester

View entire compound with spectra: 1 NMR

1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-1-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester
SpectraBase Compound ID CiojdpNMTPN
InChI InChI=1S/C29H27NO6S3/c1-16-7-13-19-20(15-16)30(21(31)14-10-17-8-11-18(34-4)12-9-17)29(2,3)25(37)22(19)28-38-23(26(32)35-5)24(39-28)27(33)36-6/h7-15H,1-6H3/b14-10+
InChIKey UOFOLQGVFAJDJV-GXDHUFHOSA-N
Mol Weight 581.72 g/mol
Molecular Formula C29H27NO6S3
Exact Mass 581.100051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ungFVTEbXB
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-1-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-2,2,7-trimethyl-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/C29H27NO6S3/c1-16-7-13-19-20(15-16)30(21(31)14-10-17-8-11-18(34-4)12-9-17)29(2,3)25(37)22(19)28-38-23(26(32)35-5)24(39-28)27(33)36-6/h7-15H,1-6H3/b14-10+
InChIKey UOFOLQGVFAJDJV-GXDHUFHOSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1680
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/9214150; Labnumber: LP-0016678
Temperature 303 °C