For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

acetonitrile, [[3-(3,4-dimethylphenyl)-2,3,6,7-tetrahydro-6-(2-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
SpectraBase Compound ID 7jEUPwQLcRr
InChI InChI=1S/C22H18N4O2S3/c1-13-8-9-15(12-14(13)2)25-19-18(31-22(25)29)20(27)26(21(24-19)30-11-10-23)16-6-4-5-7-17(16)28-3/h4-9,12H,11H2,1-3H3
InChIKey VQNXEPJQQGSXFG-UHFFFAOYSA-N
Mol Weight 466.59 g/mol
Molecular Formula C22H18N4O2S3
Exact Mass 466.059189 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2tLvfKUAUIs
Name acetonitrile, [[3-(3,4-dimethylphenyl)-2,3,6,7-tetrahydro-6-(2-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H18N4O2S3/c1-13-8-9-15(12-14(13)2)25-19-18(31-22(25)29)20(27)26(21(24-19)30-11-10-23)16-6-4-5-7-17(16)28-3/h4-9,12H,11H2,1-3H3
InChIKey VQNXEPJQQGSXFG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_395
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/10328041