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acetonitrile, [[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
SpectraBase Compound ID DNxlIs3BGko
InChI InChI=1S/C22H17ClN4O2S3/c1-3-29-16-7-4-14(5-8-16)27-20(28)18-19(25-21(27)31-11-10-24)26(22(30)32-18)15-6-9-17(23)13(2)12-15/h4-9,12H,3,11H2,1-2H3
InChIKey PDBCWLHWLVYKBK-UHFFFAOYSA-N
Mol Weight 501.04 g/mol
Molecular Formula C22H17ClN4O2S3
Exact Mass 500.020217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FpAoekhxqz
Name acetonitrile, [[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-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/C22H17ClN4O2S3/c1-3-29-16-7-4-14(5-8-16)27-20(28)18-19(25-21(27)31-11-10-24)26(22(30)32-18)15-6-9-17(23)13(2)12-15/h4-9,12H,3,11H2,1-2H3
InChIKey PDBCWLHWLVYKBK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_406
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/10328062