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thiazolo[4,5-d]pyrimidin-7(6H)-one, 3-(4-chloro-3-methylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)thio]-6-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo-
SpectraBase Compound ID CVrvbcmXrJ5
InChI InChI=1S/C24H22ClN3O4S3/c1-3-30-17-7-4-15(5-8-17)28-22(29)20-21(26-23(28)34-13-19-31-10-11-32-19)27(24(33)35-20)16-6-9-18(25)14(2)12-16/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKey DYYUTKGHZQYUAW-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 e8A0EpdVLY
Name thiazolo[4,5-d]pyrimidin-7(6H)-one, 3-(4-chloro-3-methylphenyl)-5-[(1,3-dioxolan-2-ylmethyl)thio]-6-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo-
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/c1-3-30-17-7-4-15(5-8-17)28-22(29)20-21(26-23(28)34-13-19-31-10-11-32-19)27(24(33)35-20)16-6-9-18(25)14(2)12-16/h4-9,12,19H,3,10-11,13H2,1-2H3
InChIKey DYYUTKGHZQYUAW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_404
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/10328060