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5-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

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5-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
SpectraBase Compound ID 9G3H9yz4vYP
InChI InChI=1S/C22H19NO2S3/c1-22(2)20-19(21(26)28-27-20)16-6-4-5-7-17(16)23(22)18(24)13-10-14-8-11-15(25-3)12-9-14/h4-13H,1-3H3/b13-10+
InChIKey CMFIPQKPUPVRTD-JLHYYAGUSA-N
Mol Weight 425.58 g/mol
Molecular Formula C22H19NO2S3
Exact Mass 425.057792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KiAZfqMiI0w
Name 5-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
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/C22H19NO2S3/c1-22(2)20-19(21(26)28-27-20)16-6-4-5-7-17(16)23(22)18(24)13-10-14-8-11-15(25-3)12-9-14/h4-13H,1-3H3/b13-10+
InChIKey CMFIPQKPUPVRTD-JLHYYAGUSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15383
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: UZI/6221522; UBI_ID: UBI-015386
Synonyms 5-[3-(4-methoxyphenyl)-2-propenoyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Temperature 315 °C