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butanoic acid, 4-[[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxo-, ethyl ester

View entire compound with spectra: 1 NMR

butanoic acid, 4-[[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxo-, ethyl ester
SpectraBase Compound ID 3SHnrWd5uLn
InChI InChI=1S/C27H27N3O5S3/c1-4-17-7-9-18(10-8-17)29-24-23(38-27(29)36)25(33)30(19-11-13-21(14-12-19)34-5-2)26(28-24)37-16-20(31)15-22(32)35-6-3/h7-14H,4-6,15-16H2,1-3H3
InChIKey BKLSIKVVVQPQEX-UHFFFAOYSA-N
Mol Weight 569.71 g/mol
Molecular Formula C27H27N3O5S3
Exact Mass 569.111284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HOEgRr3T91N
Name butanoic acid, 4-[[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2,3,6,7-tetrahydro-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-3-oxo-, 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/C27H27N3O5S3/c1-4-17-7-9-18(10-8-17)29-24-23(38-27(29)36)25(33)30(19-11-13-21(14-12-19)34-5-2)26(28-24)37-16-20(31)15-22(32)35-6-3/h7-14H,4-6,15-16H2,1-3H3
InChIKey BKLSIKVVVQPQEX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7050
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/10328270