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4,4-dimethyl-5-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
SpectraBase Compound ID BgSes1p4Mi8
InChI InChI=1S/C22H21NO4S3/c1-22(2)19-17(21(28)30-29-19)13-8-6-7-9-14(13)23(22)20(24)12-10-15(25-3)18(27-5)16(11-12)26-4/h6-11H,1-5H3
InChIKey ZDSXTEWYMCVOGN-UHFFFAOYSA-N
Mol Weight 459.59 g/mol
Molecular Formula C22H21NO4S3
Exact Mass 459.063272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5FvYVSf6U7C
Name 1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 4,5-dihydro-4,4-dimethyl-5-(3,4,5-trimethoxybenzoyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.063271678 u
Formula C22H21NO4S3
InChI InChI=1S/C22H21NO4S3/c1-22(2)19-17(21(28)30-29-19)13-8-6-7-9-14(13)23(22)20(24)12-10-15(25-3)18(27-5)16(11-12)26-4/h6-11H,1-5H3
InChIKey ZDSXTEWYMCVOGN-UHFFFAOYSA-N
Molecular Weight 459.593 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5649
Solvent DMSO-d6
Source Vendor ID: NMR/9253437; Lab Info: VGY; Lab Number: VGY-0005976