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acetic acid, [[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-

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acetic acid, [[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
SpectraBase Compound ID 6r0erVqSpB1
InChI InChI=1S/C21H16FN3O3S3/c1-11-3-6-15(9-12(11)2)24-18-17(31-21(24)29)19(28)25(14-7-4-13(22)5-8-14)20(23-18)30-10-16(26)27/h3-9H,10H2,1-2H3,(H,26,27)
InChIKey GYEUWPACRADVFE-UHFFFAOYSA-N
Mol Weight 473.56 g/mol
Molecular Formula C21H16FN3O3S3
Exact Mass 473.033783 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LJhqQsxVlR
Name acetic acid, [[3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
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/C21H16FN3O3S3/c1-11-3-6-15(9-12(11)2)24-18-17(31-21(24)29)19(28)25(14-7-4-13(22)5-8-14)20(23-18)30-10-16(26)27/h3-9H,10H2,1-2H3,(H,26,27)
InChIKey GYEUWPACRADVFE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6656
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/12219953