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acetonitrile, [[2,3,6,7-tetrahydro-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-

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acetonitrile, [[2,3,6,7-tetrahydro-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
SpectraBase Compound ID DaSxYVhKmMo
InChI InChI=1S/C21H16N4O3S3/c1-27-14-7-5-6-13(12-14)24-18-17(31-21(24)29)19(26)25(20(23-18)30-11-10-22)15-8-3-4-9-16(15)28-2/h3-9,12H,11H2,1-2H3
InChIKey NUDZWXPQFQAABA-UHFFFAOYSA-N
Mol Weight 468.56 g/mol
Molecular Formula C21H16N4O3S3
Exact Mass 468.038454 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FgFqo3lWfn
Name acetonitrile, [[2,3,6,7-tetrahydro-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-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/C21H16N4O3S3/c1-27-14-7-5-6-13(12-14)24-18-17(31-21(24)29)19(26)25(20(23-18)30-11-10-22)15-8-3-4-9-16(15)28-2/h3-9,12H,11H2,1-2H3
InChIKey NUDZWXPQFQAABA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_412
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/10328071