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

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acetonitrile, [[6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-3-(3-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
SpectraBase Compound ID GoMrHWdwmUX
InChI InChI=1S/C22H18N4O3S3/c1-3-29-16-9-7-14(8-10-16)26-20(27)18-19(24-21(26)31-12-11-23)25(22(30)32-18)15-5-4-6-17(13-15)28-2/h4-10,13H,3,12H2,1-2H3
InChIKey CJTKVGKATGYUCZ-UHFFFAOYSA-N
Mol Weight 482.59 g/mol
Molecular Formula C22H18N4O3S3
Exact Mass 482.054104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7P49hV623i3
Name acetonitrile, [[6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-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/C22H18N4O3S3/c1-3-29-16-9-7-14(8-10-16)26-20(27)18-19(24-21(26)31-12-11-23)25(22(30)32-18)15-5-4-6-17(13-15)28-2/h4-10,13H,3,12H2,1-2H3
InChIKey CJTKVGKATGYUCZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7042
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/10328261