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5-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
SpectraBase Compound ID JdOFM1HTJeU
InChI InChI=1S/C21H16N2OS5/c1-21(2)18-17(19(25)29-28-18)12-7-3-5-9-14(12)23(21)16(24)11-26-20-22-13-8-4-6-10-15(13)27-20/h3-10H,11H2,1-2H3
InChIKey RKPYOEQEEYUNEK-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C21H16N2OS5
Exact Mass 471.986619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GoMR4R27pwh
Name 5-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-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/C21H16N2OS5/c1-21(2)18-17(19(25)29-28-18)12-7-3-5-9-14(12)23(21)16(24)11-26-20-22-13-8-4-6-10-15(13)27-20/h3-10H,11H2,1-2H3
InChIKey RKPYOEQEEYUNEK-UHFFFAOYSA-N
NMR Offset 15.4978
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7417
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/8196551; UBI_ID: UBI-007420
Temperature 315 °C