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

View entire compound with spectra: 1 NMR

acetic acid, [[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 LkIFLnuHnzd
InChI InChI=1S/C22H18ClN3O4S3/c1-3-30-15-7-4-13(5-8-15)26-20(29)18-19(24-21(26)32-11-17(27)28)25(22(31)33-18)14-6-9-16(23)12(2)10-14/h4-10H,3,11H2,1-2H3,(H,27,28)
InChIKey UHBDBNWZALYRMW-UHFFFAOYSA-N
Mol Weight 520.04 g/mol
Molecular Formula C22H18ClN3O4S3
Exact Mass 519.014797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvaAXBNRrXX
Name acetic acid, [[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/C22H18ClN3O4S3/c1-3-30-15-7-4-13(5-8-15)26-20(29)18-19(24-21(26)32-11-17(27)28)25(22(31)33-18)14-6-9-16(23)12(2)10-14/h4-10H,3,11H2,1-2H3,(H,27,28)
InChIKey UHBDBNWZALYRMW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_407
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/10328063