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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]-, ethyl ester

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]-, ethyl ester
SpectraBase Compound ID FcQkOuIIFu8
InChI InChI=1S/C24H22ClN3O4S3/c1-4-31-17-9-6-15(7-10-17)28-22(30)20-21(26-23(28)34-13-19(29)32-5-2)27(24(33)35-20)16-8-11-18(25)14(3)12-16/h6-12H,4-5,13H2,1-3H3
InChIKey NMDNPAIZNYXWMW-UHFFFAOYSA-N
Mol Weight 548.09 g/mol
Molecular Formula C24H22ClN3O4S3
Exact Mass 547.046097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7eceiR4Qfl8
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]-, ethyl ester
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/C24H22ClN3O4S3/c1-4-31-17-9-6-15(7-10-17)28-22(30)20-21(26-23(28)34-13-19(29)32-5-2)27(24(33)35-20)16-8-11-18(25)14(3)12-16/h6-12H,4-5,13H2,1-3H3
InChIKey NMDNPAIZNYXWMW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_403
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/10328059