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1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-,

View entire compound with spectra: 1 NMR

1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-,
SpectraBase Compound ID 50wGkcjN91u
InChI InChI=1S/C28H26FNO7S3/c1-6-36-17-11-12-19-18(13-17)21(27-39-22(25(32)34-4)23(40-27)26(33)35-5)24(38)28(2,3)30(19)20(31)14-37-16-9-7-15(29)8-10-16/h7-13H,6,14H2,1-5H3
InChIKey JKAGDBDABLBHOM-UHFFFAOYSA-N
Mol Weight 603.69 g/mol
Molecular Formula C28H26FNO7S3
Exact Mass 603.085544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9XRxeK1yKgr
Name 1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 603.085543859 u
Formula C28H26FNO7S3
InChI InChI=1S/C28H26FNO7S3/c1-6-36-17-11-12-19-18(13-17)21(27-39-22(25(32)34-4)23(40-27)26(33)35-5)24(38)28(2,3)30(19)20(31)14-37-16-9-7-15(29)8-10-16/h7-13H,6,14H2,1-5H3
InChIKey JKAGDBDABLBHOM-UHFFFAOYSA-N
Molecular Weight 603.694 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2998
Solvent DMSO-d6
Source Vendor ID: NMR/9248736; Lab Info: *0364191*; Lab Number: *0364191*
Temperature 29.85 °C